SCHEMBL8517366

SCHEMBL8517366

NCCCCCC(=O)Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.65
PRSS2 P07478 1/20 0.65
PRSS3 P35030 1/20 0.65
KMT2A Q03164 5/20 0.50
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
PLG P00747 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
SLC6A2 P23975 1/20 0.45
RECQL P46063 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAPT P10636 2/20 0.44
CYP19A1 P11511 1/20 0.44
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.43
HDAC1 Q13547 3/20 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
Hydrochloric Acid SCHEMBL9183990 0.98 PRSS1 (0.63) PRSS1PRSS2PRSS3KMT2AEGFR
Hydrochloric Acid SCHEMBL11187297 0.98 PRSS1 (0.63) PRSS1PRSS2PRSS3KMT2AEGFR
Bromide SCHEMBL11186851 0.98 PRSS1 (0.63) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL27659306 0.98 PRSS1 (0.62) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL1450488 0.93 PRSS1 (0.59) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL27920690 0.91 PRSS1 (0.58) PRSS1PRSS2PRSS3KMT2AEGFR
Hydrochloric Acid SCHEMBL320656 0.91 PRSS1 (0.58) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL25297232 0.91 PRSS1 (0.70) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL43568 0.91 PRSS1 (0.70) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL20564639 0.91 PRSS1 (0.70) PRSS1PRSS2PRSS3KMT2AEGFR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105237526-B A kind of anti-hiv drug and preparation method thereof 朱靖华 2018-01-23 CN disclosed
CN-105294589-B A kind of antiviral drugs and preparation method thereof 朱靖华 2017-06-30 CN disclosed
CN-105294589-A Antiviral drug and preparation method therefor ZHU JINGHUA 2016-02-03 CN disclosed
CN-105237526-A Anti-HIV drug and preparation method therefor ZHU JINGHUA 2016-01-13 CN disclosed
EP-0719250-B1 SYNTHESIS OF AMIDO ACIDS FROM CARBOXYLIC ACIDS AND LACTAMS PROCTER & GAMBLE (US) 1999-04-14 EP disclosed
EP-0884306-A2 Synthesis of amido acids from Carboxylic acids and lactams THE PROCTER & GAMBLE COMPANY (US) 1998-12-16 EP disclosed
US-5534642-A FOLLOWED BY CONVERSION TO PHENYL ESTER SULFONATES, SIMPLE, LOW COST, BLEACH ACTIVATORS FOR DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-07-09 US disclosed
EP-0719249-A1 SYNTHESIS OF AMIDO ACIDS FROM CARBOXYLIC ACID ESTERS AND AMINO ACID SALTS THE PROCTER & GAMBLE COMPANY (US) 1996-07-03 EP disclosed
EP-0719250-A1 SYNTHESIS OF AMIDO ACIDS FROM CARBOXYLIC ACIDS AND LACTAMS THE PROCTER & GAMBLE COMPANY (US) 1996-07-03 EP disclosed
US-5414099-A Acid catalyst; also making phenyl esters by reacting the amido acids either with phenol in presence of acid catalyst and boric acid or with phenol ester of lower molecular weight carboxylic acid in presence of basic catalyst THE PROCTER & GAMBLE COMPANY (US) 1995-05-09 US disclosed
WO-1995007883-A1 SYNTHESIS OF AMIDO ACIDS FROM CARBOXYLIC ACIDS AND LACTAMS THE PROCTER & GAMBLE COMPANY (US) 1995-03-23 WO disclosed
WO-1995007882-A1 SYNTHESIS OF AMIDO ACIDS FROM CARBOXYLIC ACID ESTERS AND AMINO ACID SALTS THE PROCTER & GAMBLE COMPANY (US) 1995-03-23 WO disclosed