SCHEMBL4601360

SCHEMBL4601360

Cc1cc(C(C)Cc2ccccc2CC(C)c2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 9/20 0.40
ESR2 Q92731 6/20 0.40
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPA1 O75762 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1C Q13936 1/20 0.39
AR P10275 3/20 0.38
ACHE P22303 1/20 0.38
PDE10A Q9Y233 1/20 0.37
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL28481915 0.85 ESR1 (0.49) USP2ALDH1A1GAAPKMHPGD
SCHEMBL2554988 0.82 GABRA1 (0.42) ALDH1A1PKMESR1ESR2PTGS1
SCHEMBL298975 0.82 ESR1 (0.58) USP2ALDH1A1GAAPKMHPGD
SCHEMBL697803 0.81 ESR1 (0.44) USP2ALDH1A1GAAPKMHPGD
SCHEMBL10940623 0.81 TRPA1 (0.39) USP2ALDH1A1GAAPKMHPGD
SCHEMBL27223872 0.81 ESR1 (0.55) USP2ALDH1A1GAAPKMHPGD
SCHEMBL10335147 0.79 CYP3A4 (0.44) USP2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL97663 0.78 GAA (0.65) USP2ALDH1A1GAAPKMHPGD
SCHEMBL3680719 0.78 SLC6A2 (0.43) ALDH1A1ESR1ESR2TP53TDP1
SCHEMBL27776962 0.77 ALDH1A1 (0.44) USP2ALDH1A1GAAPKMHPGD

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
EP-1969028-A2 POLYCARBONATES CONTAINING LOW LEVELS OF METHYL SALICYLATE PREPARED BY A MELT POLYMERIZATION IN A REACTIVE EXTRUDER GENERAL ELECTRIC COMPANY (US) 2008-09-17 EP disclosed
EP-1751211-B1 METHOD FOR PREPARING A POLYCARBONATE OLIGOMER MIXTURE AT LOW TEMPERATURE FOR MANUFACTURING POLYCARBONATE GEN ELECTRIC (US) 2008-04-30 EP disclosed
WO-2007075351-A2 POLYCARBONATES CONTAINING LOW LEVELS OF METHYL SALICYLATE PREPARED BY A MELT POLYMERIZATION IN A REACTIVE EXTRUDER GENERAL ELECTRIC COMPANY (US) 2007-07-05 WO disclosed