SCHEMBL4889987

SCHEMBL4889987

C=Cc1ccc2cc(OC(OC)C(C)C)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
NQO2 P16083 3/20 0.34
HTR2C P28335 1/20 0.34
MAOB P27338 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
PTGS2 P35354 4/20 0.33
PTGS1 P23219 2/20 0.33
CYP1A2 P05177 2/20 0.33
CDC42 P60953 1/20 0.33
RAC1 P63000 1/20 0.33
TSHR P16473 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 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
SCHEMBL989083 0.85 ALDH1A1 (0.41) TRPA1TAS1R3TAS1R1TSHRALDH1A1
SCHEMBL190030 0.76 CYP1A2 (0.54) TRPA1NQO2HTR2CMAOBPTGS2
SCHEMBL29566387 0.76 CYP1A2 (0.54) TRPA1NQO2HTR2CMAOBPTGS2
SCHEMBL29566047 0.76 CYP1A2 (0.54) TRPA1NQO2HTR2CMAOBPTGS2
SCHEMBL29869460 0.74 ESR1 (0.36) AKR1C3AKR1C2NQO2HTR2CTAS1R3
SCHEMBL283322 0.74 ESR1 (0.36) AKR1C3AKR1C2NQO2HTR2CTAS1R3
SCHEMBL18510979 0.73 CYP3A4 (0.43) TRPA1NQO2HTR2CMAOBPTGS1
SCHEMBL3618006 0.73 CYP1A2 (0.50) TRPA1NQO2HTR2CMAOBPTGS2
SCHEMBL5673218 0.73 CYP1A2 (0.55) TRPA1NQO2HTR2CMAOBPTGS2
SCHEMBL3627666 0.73 CYP1A2 (0.50) TRPA1NQO2HTR2CMAOBPTGS2

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
US-20080020289-A1 Novel polymer, positive resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-01-24 US disclosed