SCHEMBL3177458

SCHEMBL3177458

CC(C)(c1ccc(N=C=O)cc1)c1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N=C=O)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.50
TSHR P16473 2/20 0.50
TRPA1 O75762 1/20 0.44
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ESR1 P03372 4/20 0.41
ESR2 Q92731 3/20 0.41
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR6 P50406 1/20 0.41
ESRRG P62508 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 1/20 0.35
SLC22A2 O15244 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
SCHEMBL305469 1.00 CYP3A4 (0.50) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL305480 1.00 CYP3A4 (0.50) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL22966365 0.94 CYP3A4 (0.45) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL22966434 0.94 CYP3A4 (0.45) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL14020958 0.92 CYP3A4 (0.44) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL28470737 0.92 CYP3A4 (0.48) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL13873042 0.90 ESR1 (0.59) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL6433133 0.89 CYP3A4 (0.71) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL1949466 0.89 TSHR (0.41) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL3182450 0.89 ESR1 (0.52) CYP3A4TSHRTRPA1MAPK1TDP1

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
US-7659360-B2 Low water-absorptive polyimide resin and method for producing same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-02-09 US disclosed
US-20080132667-A1 Low Water-Absorptive Polyimide Resin and Method for Producing Same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-06-05 US disclosed
EP-1829910-A1 LOW WATER-ABSORPTIVE POLYIMIDE RESIN AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-09-05 EP disclosed