SCHEMBL3380559

SCHEMBL3380559

CCC(CCP(=O)(O)C(C)(CCC(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
CYP2D6 P10635 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
FOLH1 Q04609 1/20 0.33
RIPK1 Q13546 2/20 0.33
GGH Q92820 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33

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
SCHEMBL3380416 0.81 RIPK1 (0.42) CYP2D6ALDH1A1CYP1A2TSHRCYP2C19
SCHEMBL3380418 0.76 HDAC3 (0.50) MAPTPOLBTSHRSMN1; SMN2
SCHEMBL3382276 0.74 MAPT (0.50) MAPTTSHRSMN1; SMN2
SCHEMBL3380370 0.74 ALDH1A1 (0.39) ALDH1A1CYP1A2TSHR
SCHEMBL3056333 0.73 GABBR2 (0.47) MAPTPOLBCYP2D6ALDH1A1CYP1A2
SCHEMBL8585562 0.73 NAALAD2 (0.40) POLBCYP2D6ALDH1A1CYP1A2TSHR
SCHEMBL8457132 0.73 KEAP1 (0.41) MAPTALDH1A1SMN1; SMN2FOLH1
SCHEMBL13137019 0.72 MAPT (0.44) MAPTPOLBCYP2D6ALDH1A1CYP1A2
SCHEMBL1377066 0.72 FOLH1 (0.54) FOLH1
SCHEMBL3382732 0.71 AKR1B1 (0.39) ALDH1A1CYP1A2TSHR

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