SCHEMBL4589440

SCHEMBL4589440

[CH2]CCOC(=O)CCCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.63
DNM1 Q05193 1/20 0.52
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
TSHR P16473 2/20 0.48
PAM P19021 2/20 0.47
NAAA Q02083 1/20 0.47
HTR2C P28335 1/20 0.46
MGLL Q99685 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.44
CNR1 P21554 1/20 0.44
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7838112 0.94 DGKA (0.73) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL7839076 0.92 DGKA (0.77) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL8893920 0.92 DGKA (0.77) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL8893739 0.92 DGKA (0.77) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL8894559 0.92 DGKA (0.77) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL7829125 0.92 DGKA (0.77) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL938867 0.92 DGKA (0.77) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL3502039 0.92 DGKA (0.77) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL5387189 0.92 DGKA (0.77) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL5385058 0.92 DGKA (0.77) DGKADNM1PRSS1PRSS2PRSS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4818754-A ANTIALLERGENS BEECHAM GROUP P.L.C. OF BEECHAM HOUSE (GB) 1989-04-04 US claimed
EP-0243055-A2 Pyrazolopyridine derivatives, process for their preparation, and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-10-28 EP claimed
WO-2008047883-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 WO disclosed
US-6339162-B1 SOLVOLYSIS OF 4-ACETYLOXYPHENYL-ACETYL-.BETA.-D-GLUCOPYRANOSIDE DERIVATIVE, NEUTRALIZATION WITH ACID, CRYSTALLIZATION OF ARBUTIN OR ITS DERIVATIVE NISSHIN PHARMA INC. (JP) 2002-01-15 US disclosed
EP-0751133-B1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2001-09-12 EP disclosed
EP-1043321-A1 Process for the preparation of tetrahydropyran derivatives Nisshin Flour Milling Co., Ltd. (JP) 2000-10-11 EP disclosed
EP-0601439-B1 Dye mixtures containing dyes with a coupling component of the diaminopyridine type BASF AG (DE) 1999-07-07 EP disclosed
US-5770108-A HIGH SPEED RESPONSE, MOLECULAR ORIENTATION, HIGH CONTRAST, RECEPTIVITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed
EP-0751133-A1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-02 EP disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
US-5403363-A Applying to textile material for printing and dyeing; colorfastness BASF AKTIENGESELLSCHAFT (DE) 1995-04-04 US disclosed
EP-0601439-A2 Dye mixtures containing dyes with a coupling component of the diaminopyridine type BASF Aktiengesellschaft (DE) 1994-06-15 EP disclosed
US-5162045-A Azo Dyes with a Cyanothiophene Group BASF AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
US-5069991-A NAPHTHOLACTAM OR ISINDOLENINE DYE BASF AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
US-4999026-A Transferring dyes for thermal printing: tri-cyano-vinyl aniline dyes BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed
EP-0258856-B1 DYE TRANSFER METHOD BASF Aktiengesellschaft (DE) 1990-11-14 EP disclosed
US-4906541-A Electrophotographic recording element containing a naphtholactam dye sensitizer BASF AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed
US-4818754-A ANTIALLERGENS BEECHAM GROUP P.L.C. OF BEECHAM HOUSE (GB) 1989-04-04 US disclosed
EP-0243055-A2 Pyrazolopyridine derivatives, process for their preparation, and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-10-28 EP disclosed