SCHEMBL9814411

SCHEMBL9814411

C=Cc1ccc(C(=O)OC(C)CCCl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TSHR P16473 2/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL9814420 0.92 TAS1R3 (0.42) TAS1R3TAS1R1USP2ALOX15CA12
SCHEMBL9814424 0.88 TAS1R3 (0.44) TAS1R3TAS1R1USP2ALOX15CA12
SCHEMBL28471055 0.87 TAS1R3 (0.55) TAS1R3TAS1R1USP2ALOX15CA12
SCHEMBL9814385 0.85 TAS1R3 (0.43) TAS1R3TAS1R1USP2ALOX15CA12
SCHEMBL12922588 0.83 TAS1R3 (0.47) TAS1R3TAS1R1USP2ALOX15CA12
SCHEMBL9814419 0.83 TAS1R3 (0.42) TAS1R3TAS1R1USP2ALOX15CA12
SCHEMBL9814426 0.82 TAS1R3 (0.44) TAS1R3TAS1R1USP2ALOX15CA12
SCHEMBL29030418 0.79 CA12 (0.47) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL821210 0.79 CA12 (0.61) TAS1R3TAS1R1CA12CA1CA2
SCHEMBL27928510 0.78 PDCD1 (0.45) TAS1R3TAS1R1TSHRCYP4F2CYP4A11

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-0211104-B1 COMPOSITES Nippon Shiken Dental Co., Ltd. (JP) 1991-08-21 EP disclosed
US-4705836-A Polymerization composition containing vinyl benzoic acid or a derivative thereof and a vinyl compound NIPPON SHIKEN DENTAL CO., LTD. (JP) 1987-11-10 US disclosed
EP-0211104-A2 Composites Nippon Shiken Dental Co., Ltd. (JP) 1987-02-25 EP disclosed