SCHEMBL9934396

SCHEMBL9934396

CCc1ccccc1-c1ccc(SC)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.47
PTGS2 P35354 4/20 0.44
TRPA1 O75762 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42
GAA P10253 1/20 0.40
DPP4 P27487 1/20 0.39
HPGD P15428 1/20 0.39
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL5723308 0.85 FFAR1 (0.49) FFAR1FFAR4PTGS2SLC6A4SLC6A2
SCHEMBL8604577 0.81 FFAR1 (0.50) FFAR1FFAR4PTGS2SLC6A4SLC6A2
SCHEMBL9618332 0.79 DPP4 (0.56) ALDH1A1PTGS2TRPA1PPARGPPARA
SCHEMBL31261742 0.79 DPP4 (0.60) ALDH1A1PTGS2TRPA1PPARGPPARA
SCHEMBL328862 0.79 DPP4 (0.60) ALDH1A1PTGS2TRPA1PPARGPPARA
SCHEMBL15238876 0.78 PPARG (0.49) FFAR1FFAR4ALDH1A1TRPA1PPARG
SCHEMBL29655972 0.78 TRPA1 (0.46) FFAR1FFAR4ALDH1A1POLBTRPA1
SCHEMBL7934930 0.78 TRPA1 (0.46) FFAR1FFAR4ALDH1A1POLBTRPA1
SCHEMBL4652576 0.77 DPP4 (0.52) ALDH1A1PTGS2TRPA1PPARGPPARA
Ethane SCHEMBL3681665 0.77 DPP4 (0.58) ALDH1A1PTGS2TRPA1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471873-B1 ENERGY RAY-CURABLE GASKET BRIDGESTONE CORP (JP) 2015-09-30 EP disclosed
EP-2471873-A1 ENERGY RAY-CURABLE ELASTOMER COMPOSITION Bridgestone Corporation (JP) 2012-07-04 EP disclosed
US-20120157564-A1 ENERGY RAY-CURABLE ELASTOMER COMPOSITION BRIDGESTONE CORPORATION (JP) 2012-06-21 US disclosed