SCHEMBL3382432

SCHEMBL3382432

O=C(O)CCC(Cc1ccccc1)(C[PH](=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 1/20 0.41
KEAP1 Q14145 1/20 0.41
CYP2C19 P33261 2/20 0.39
FFAR1 O14842 4/20 0.39
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAPT P10636 1/20 0.37

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
SCHEMBL7432415 0.85 SMN1; SMN2 (0.50) SMN1; SMN2HIF1AKEAP1CYP2C19FFAR1
SCHEMBL3381675 0.83 MAPT (0.50) SMN1; SMN2KEAP1FFAR1HDAC3MAPK1
SCHEMBL3823945 0.76 HPGD (0.42) SMN1; SMN2HIF1AKEAP1FFAR1HDAC3
SCHEMBL675542 0.76 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AKEAP1CYP2C19FFAR1
SCHEMBL7440048 0.74 KEAP1 (0.46) SMN1; SMN2HIF1AKEAP1CYP2C19FFAR1
SCHEMBL3384290 0.74 CYP1A2 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29286131 0.74 EPHX2 (0.44) FFAR1HDAC11MAPTRXFP1FFAR4
SCHEMBL9191113 0.73 MAPT (0.56) SMN1; SMN2HIF1AKEAP1FFAR1HDAC3
SCHEMBL4477456 0.73 MAPT (0.56) SMN1; SMN2HIF1AKEAP1FFAR1HDAC3
SCHEMBL31303729 0.73 MAPT (0.56) SMN1; SMN2HIF1AKEAP1FFAR1HDAC3

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-5880112-A PHOSPHINIC ACID DERIVATIVES; PROSTATE CANCER TREATMENT GUILFORD PHARMACEUTICALS INC. (US) 1999-03-09 US claimed
EP-1443954-B1 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES SCRIPPS RESEARCH INST (US) 2010-11-24 EP disclosed
US-7399743-B2 Targeted thrombosis THE SCRIPPS RESEARCH INSTITUTE (US) 2008-07-15 US disclosed
EP-1443954-A2 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES Novartis Pharma GmbH (AT) 2004-08-11 EP disclosed
US-20030194400-A1 Targeted thrombosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-16 US disclosed
WO-2003035688-A2 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES NOVARTIS PHARMA GMBH (AT) 2003-05-01 WO disclosed