SCHEMBL9475146

SCHEMBL9475146

COc1ccc(CSC2=NC(C)=C(C(=O)O)C(c3ccccc3C)N2C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
FFAR1 O14842 1/20 0.40
EPHX1 P07099 1/20 0.39
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MCL1 Q07820 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GLA P06280 1/20 0.37
CTSB P07858 1/20 0.36
HDAC3 O15379 1/20 0.36
NCOR1 O75376 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
MYLK Q15746 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9475728 0.91 ABL1 (0.41) PTGDR2FFAR1EPHX1TSHRMAPT
SCHEMBL9476368 0.91 TP53 (0.40) PTGDR2FFAR1EPHX1TSHRMAPT
SCHEMBL9476315 0.90 MAPT (0.41) PTGDR2FFAR1EPHX1TSHRMAPT
SCHEMBL9476024 0.88 ALDH1A1 (0.41) PTGDR2FFAR1EPHX1GAAALDH1A1
SCHEMBL9476282 0.87 SMN1; SMN2 (0.41) PTGDR2MAPTGAAALDH1A1LMNA
SCHEMBL9476099 0.87 POLB (0.40) PTGDR2FFAR1MAPTGAANPC1
SCHEMBL9476156 0.87 FFAR1 (0.38) PTGDR2FFAR1EPHX1TSHRMAPT
SCHEMBL9476961 0.86 FFAR1 (0.44) PTGDR2FFAR1EPHX1TSHRMAPT
SCHEMBL9476027 0.85 TP53 (0.40) PTGDR2FFAR1TSHRMAPTGAA
SCHEMBL9475423 0.84 ALDH1A1 (0.39) PTGDR2FFAR1TSHRMAPTGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed