SCHEMBL3380416

SCHEMBL3380416

CC(CCCP(=O)(O)C(C)(CCC(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TRPA1 O75762 2/20 0.33
HPGD P15428 1/20 0.33
ANPEP P15144 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FOLH1 Q04609 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
SCHEMBL3380418 0.81 HDAC3 (0.50) TSHR
SCHEMBL3380559 0.81 MAPT (0.36) RIPK1ALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL3382276 0.80 MAPT (0.50) TSHR
SCHEMBL3382732 0.74 AKR1B1 (0.39) ALDH1A1CYP1A2TSHR
SCHEMBL8585562 0.73 NAALAD2 (0.40) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL1716157 0.73 CYSLTR2 (0.50) RIPK1CYSLTR2CYSLTR1ALDH1A1CYP1A2
SCHEMBL8457132 0.73 KEAP1 (0.41) ALDH1A1HPGDANPEPFOLH1
SCHEMBL8024424 0.72 TBXAS1 (0.53) RIPK1CYSLTR2CYSLTR1ALDH1A1CYP1A2
SCHEMBL3825484 0.72 GRM8 (0.49) RIPK1ALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL1373545 0.72 GRM3 (0.54) FOLH1

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