SCHEMBL7365320

SCHEMBL7365320

CCCCCCCCCCCCC1=C(O)C(=O)C(O)=C(CCCCCCCCCCCC)C1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.65
MPEG1 Q2M385 11/20 0.65
XIAP P98170 2/20 0.65
GPR84 Q9NQS5 2/20 0.65
ALDH1A1 P00352 2/20 0.65
MAPT P10636 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
KDM4E B2RXH2 1/20 0.65
MEN1 O00255 1/20 0.65
PTGES O14684 1/20 0.65
USP2 O75604 1/20 0.65
TP53 P04637 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
ALOX12 P18054 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP2C19 P33261 1/20 0.65
KMT2A Q03164 1/20 0.65

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
SCHEMBL29911486 0.90 ALOX5 (0.64) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL14507682 0.88 ALOX5 (0.62) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL18286353 0.85 ALOX5 (0.58) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL9444208 0.82 ALOX5 (0.55) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL9857129 0.82 ALOX5 (0.55) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL30996030 0.82 ALOX5 (0.55) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL30245093 0.82 ALOX5 (0.55) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL3273093 0.82 ALOX5 (0.55) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL29879118 0.82 ALOX5 (0.55) ALOX5MPEG1XIAPGPR84ALDH1A1
SCHEMBL10337077 0.82 ALOX5 (0.55) ALOX5MPEG1XIAPGPR84ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060600-A TREATMENT OF AIDS AND OTHER DISEASES CAUSED BY RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 2000-05-09 US disclosed
US-5977169-A FOR TREATMENT OF A PERSON WITH AIDS OR AIDS RELATED DISEASES PHARMACIA & UPJOHN COMPANY 1999-11-02 US disclosed
EP-0817786-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1998-01-14 EP disclosed
WO-1996029333-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1996-09-26 WO disclosed
EP-0720607-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1996-07-10 EP disclosed
WO-1995007901-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1995-03-23 WO disclosed