SCHEMBL9621801

SCHEMBL9621801

Cc1c(O)ccc(C=Cc2ccc(O)c(C)c2C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
TTR P02766 2/20 0.34
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
TYR P14679 2/20 0.34
PTGS1 P23219 2/20 0.34
SYNJ2 O15056 1/20 0.34
BCHE P06276 1/20 0.34
MMP2 P08253 1/20 0.34
ALOX5 P09917 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL9621798 1.00 TRPA1 (0.39) TRPA1ATMGAAMAPTTTR
SCHEMBL1821915 0.85 NQO2 (0.52) TRPA1GAAMAPTTTRCYP1A1
SCHEMBL1821916 0.85 NQO2 (0.52) TRPA1GAAMAPTTTRCYP1A1
SCHEMBL16048951 0.83 CA1 (0.55) GAAMAPTTTRTYRMMP2
SCHEMBL16048950 0.83 CA1 (0.55) GAAMAPTTTRTYRMMP2
SCHEMBL7942094 0.82 PTGS1 (0.57) TTRPTGS1ALOX5PTGS2
SCHEMBL7942098 0.82 PTGS1 (0.57) TTRPTGS1ALOX5PTGS2
SCHEMBL5383128 0.80 SLC22A8 (0.41) TRPA1ATMTYRTP53TDP1
SCHEMBL29459676 0.80 TRIM24 (0.44) TYRKDM4EALDH1A1PTGS2ERN1
SCHEMBL1002718 0.80 TRIM24 (0.44) TYRKDM4EALDH1A1PTGS2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128429-A Low temperature block polymerization without randomization RAYCHEM LIMITED (GB) 1992-07-07 US disclosed
EP-0154506-B1 PREPARATION OF ORGANIC POLYMERS RAYCHEM LIMITED (GB) 1992-02-05 EP disclosed
US-4999411-A Polythioethers, polythiocarbonates, polythioamides, polythioimides RAYCHEM LIMITED (GB) 1991-03-12 US disclosed
US-4960835-A ENGINEERING THERMOPLASTICS RAYCHEM LIMITED (GB) 1990-10-02 US disclosed
US-4845179-A CONDENSATION POLYMERIZATION RAYCHEM LIMITED (GB) 1989-07-04 US disclosed
EP-0154506-A2 Preparation of organic polymers RAYCHEM LIMITED (GB) 1985-09-11 EP disclosed