SCHEMBL4886613

SCHEMBL4886613

O=C(CCCCc1ccccc1)CCCCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.73
RXFP1 Q9HBX9 1/20 0.73
HDAC1 Q13547 6/20 0.65
HDAC2 Q92769 4/20 0.65
HDAC3 O15379 3/20 0.65
HDAC8 Q9BY41 3/20 0.65
HDAC6 Q9UBN7 3/20 0.65
HDAC5 Q9UQL6 3/20 0.65
HDAC4 P56524 2/20 0.65
HDAC7 Q8WUI4 2/20 0.65
HDAC10 Q969S8 2/20 0.65
HDAC11 Q96DB2 2/20 0.65
HDAC9 Q9UKV0 2/20 0.65
MAPK1 P28482 1/20 0.65
ADRA1A P35348 1/20 0.65
SLC6A3 Q01959 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ALOX5 P09917 3/20 0.63
FAAH O00519 3/20 0.61
CES1 P23141 3/20 0.61

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
SCHEMBL11137519 0.98 MAPT (0.77) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL1508071 0.98 MAPT (0.77) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL28609434 0.98 MAPT (0.77) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL19625551 0.96 MAPT (0.68) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL5674267 0.93 HDAC1 (0.75) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL15929719 0.91 MAPT (0.68) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL11588924 0.91 MAPT (0.68) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL11029505 0.90 MAPT (0.67) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL13443080 0.90 MAPT (0.61) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL12040752 0.90 MAPT (0.61) MAPTRXFP1HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080131812-A1 Resin for printing plate material and lithographic printing plate material by use thereof KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-06-05 US disclosed
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed
EP-0435687-B1 Process for isomerization of oxime ethers SUMITOMO CHEMICAL CO (JP) 1995-03-29 EP disclosed
US-5130486-A A ketoximine ether isomerized using a Lewis acid metal halide SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-07-14 US disclosed
EP-0435687-A2 Process for isomerization of oxime ethers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed
US-4260760-A BACTERICIDES, ALGICIDES MERCK & CO., INC. (US) 1981-04-07 US disclosed
US-4247611-A ACETAL RESIN, ACID DONER HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-27 US disclosed
US-4172094-A Polyamine compounds MERCK & CO., INC. (US) 1979-10-23 US disclosed
US-4079059-A ANTIMICROBIAL, ALGAE INHIBITORS MERCK & CO., INC. (US) 1978-03-14 US disclosed
US-4070400-A MICROBIOCIDES, ALGICIDES MERCK & CO., INC. (US) 1978-01-24 US disclosed
US-4061775-A Polyamine compounds as antibacterial agents MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4058624-A Broad spectrum antibacterial compositions containing tris (hydroxymethyl)-aminomethane and diphenyl and loweralkyl substituted diphenyl polyamines MERCK & CO., INC. (US) 1977-11-15 US disclosed