SCHEMBL9683193

SCHEMBL9683193

C=Cc1cc(O)ccc1C=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 3/20 0.49
TRPA1 O75762 1/20 0.48
TTR P02766 3/20 0.44
PTPN1 P18031 2/20 0.44
SYNJ2 O15056 1/20 0.44
CYP1A1 P04798 1/20 0.44
BCHE P06276 1/20 0.44
MMP2 P08253 1/20 0.44
ALOX5 P09917 1/20 0.44
TYR P14679 1/20 0.44
PTGS1 P23219 1/20 0.44
CYP1B1 Q16678 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
NPC1 O15118 1/20 0.43
MTOR P42345 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL9307626 0.93 PELI1 (0.49) PELI1TRPA1TTRPTPN1SYNJ2
SCHEMBL9307629 0.93 PELI1 (0.49) PELI1TRPA1TTRPTPN1SYNJ2
SCHEMBL25365363 0.88 LCK (0.56) PELI1TTRPTPN1SYNJ2CYP1A1
SCHEMBL3987824 0.79 PELI1 (0.67) PELI1TRPA1TTRPTPN1SYNJ2
SCHEMBL31006918 0.79 TYR (0.69) PELI1TRPA1TTRPTPN1SYNJ2
SCHEMBL1061786 0.79 TYR (0.69) PELI1TRPA1TTRPTPN1SYNJ2
SCHEMBL1823527 0.79 TYR (0.69) PELI1TRPA1TTRPTPN1SYNJ2
SCHEMBL3989879 0.79 TRPA1 (0.53) PELI1TRPA1TTRPTPN1ALOX5
SCHEMBL31711219 0.79 TRPA1 (0.64) PELI1TRPA1PTPN1ALOX5
SCHEMBL8960569 0.79 TRPA1 (0.64) PELI1TRPA1PTPN1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474927-A1 Dynamically vulcanized alloys adherent to styrene copolymers and polyester compositions ADVANCED ELASTOMER SYSTEMS, L.P. (US) 1992-03-18 EP disclosed