SCHEMBL3381675

SCHEMBL3381675

O=C(O)CCC(CCCCc1ccccc1)(C[PH](=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HDAC1 Q13547 5/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
KEAP1 Q14145 1/20 0.44

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
SCHEMBL3382432 0.83 SMN1; SMN2 (0.41) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL11032243 0.77 MAPT (0.69) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL2818449 0.73 HDAC3 (0.61) MAPTRXFP1HDAC1HDAC2HDAC3
5-Phenylvaleric Acid SCHEMBL15263366 0.72 MAPT (0.92) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL7432415 0.71 SMN1; SMN2 (0.50) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL8736671 0.70 HDAC3 (0.49) MAPTRXFP1HDAC1HDAC2HDAC3
5-Phenylvaleric Acid SCHEMBL503601 0.70 MAPT (0.96) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL29286131 0.69 EPHX2 (0.44) MAPTRXFP1HDAC11TSHRFFAR1
SCHEMBL4477456 0.69 MAPT (0.56) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL9191113 0.69 MAPT (0.56) 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 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