SCHEMBL9307626

SCHEMBL9307626

C=Cc1ccc(O)cc1/C=C/c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 2/20 0.49
TRPA1 O75762 1/20 0.48
TTR P02766 2/20 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
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CASP3 P42574 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL9307629 1.00 PELI1 (0.49) PELI1TRPA1TTRPTPN1SYNJ2
SCHEMBL9683193 0.93 PELI1 (0.49) PELI1TRPA1TTRPTPN1SYNJ2
SCHEMBL78055 0.81 ALDH1A1 (0.48) TRPA1CYP1A1CYP1B1ALDH1A1NFE2L2
SCHEMBL25365363 0.81 LCK (0.56) PELI1TTRPTPN1SYNJ2CYP1A1
SCHEMBL3987824 0.79 PELI1 (0.67) PELI1TRPA1TTRPTPN1SYNJ2
SCHEMBL1061786 0.79 TYR (0.69) PELI1TRPA1TTRPTPN1SYNJ2
SCHEMBL31006918 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) PELI1TRPA1PTPN1ALOX5ALDH1A1

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-5376498-A Blend of an alkali-soluble resin, compound that generates an acid upon irradiation, functional aromatic compound and a phenolic compound JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-12-27 US disclosed
EP-0542572-A1 Negative type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1993-05-19 EP disclosed