SCHEMBL8765443

SCHEMBL8765443

COC(=O)c1cccc2c1CC=C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.48
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CFTR P13569 1/20 0.43
POLB P06746 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
PTPRC P08575 1/20 0.42
FFAR4 Q5NUL3 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA5A P35218 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL19212289 0.85 TRPA1 (0.47) TRPA1LMNATSHRHSD17B10ALDH1A1
SCHEMBL5315230 0.83 LMNA (0.39) TRPA1LMNATSHRHSD17B10ALDH1A1
SCHEMBL16519866 0.81 TRPA1 (0.60) TRPA1LMNATSHRHSD17B10ALDH1A1
SCHEMBL8871076 0.80 SLC6A2 (0.32) TRPA1
Ammonia Solution, Strong SCHEMBL28227842 0.77 TRPA1 (0.42) TRPA1TSHRHSD17B10ALDH1A1POLB
SCHEMBL13806578 0.76 TRPA1 (0.65) TRPA1LMNATSHRHSD17B10ALDH1A1
SCHEMBL8765423 0.73 TRPA1 (0.50) TRPA1LMNATSHRHSD17B10ALDH1A1
SCHEMBL287059 0.73 PTGS1 (0.38) ALDH1A1TDP1KMT2A
SCHEMBL14861240 0.73 TRPA1 (0.54) TRPA1LMNATSHRHSD17B10ALDH1A1
SCHEMBL10357490 0.72 LMNA (0.37) TRPA1LMNATSHRHSD17B10ALDH1A1

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
CN-105209444-B It can be used as the benzo-fused heterocycle derivative of GPR120 activator 詹森药业有限公司 2017-12-29 CN disclosed
EP-0505972-B1 Process for producing styrenic copolymer IDEMITSU KOSAN CO (JP) 1997-06-11 EP disclosed
EP-0505972-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed