SCHEMBL3382276

SCHEMBL3382276

CC(CCC(=O)O)(C(=O)O)P(=O)(O)CCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 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
FDPS P14324 6/20 0.46
GGPS1 O95749 1/20 0.46
TSHR P16473 2/20 0.45

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
SCHEMBL3380418 0.96 HDAC3 (0.50) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL8457132 0.83 KEAP1 (0.41) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL3380416 0.80 RIPK1 (0.42) TSHR
SCHEMBL3382732 0.78 AKR1B1 (0.39) HDAC11TSHRFFAR1
SCHEMBL8154435 0.78 HDAC3 (0.44) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL14001309 0.78 TSHR (0.58) MAPTRXFP1FDPSGGPS1TSHR
SCHEMBL8585562 0.77 NAALAD2 (0.40) TSHR
SCHEMBL8159047 0.76 MAPT (0.46) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL10596459 0.75 TSHR (0.69) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL10595780 0.75 TSHR (0.69) MAPTRXFP1HDAC3HDAC4HDAC1

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 9 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
US-5880112-A PHOSPHINIC ACID DERIVATIVES; PROSTATE CANCER TREATMENT GUILFORD PHARMACEUTICALS INC. (US) 1999-03-09 US disclosed
US-5804602-A N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-09-08 US disclosed
US-5672592-A HYDROLASE INHIBITORS, ANTITUMOR AND ANTICARCINOGENIC AGENTS, FOR PROSTATE CANCER GUILFORD PHARMACEUTICALS INC. (US) 1997-09-30 US disclosed