SCHEMBL2502170

SCHEMBL2502170

Cc1c(O[C]=O)ccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 6/20 0.53
TSHR P16473 4/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2A6 P11509 3/20 0.48
MAPT P10636 3/20 0.44
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
RAB9A P51151 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL27498748 0.81 NCEH1 (0.49) NCEH1TSHRCYP1A2CYP2A6MAPT
SCHEMBL9098138 0.79 MAPT (0.50) MAPTHPGDMAPK1RAB9AALDH1A1
SCHEMBL218881 0.78 CYP2A6 (0.58) NCEH1TSHRCYP1A2CYP2A6MAPT
SCHEMBL19283198 0.78 PTPN22 (0.48) TSHRCYP1A2CYP2A6MAPTHSD17B10
SCHEMBL2945 0.76 ALDH1A1 (0.47) TSHRCYP1A2CYP2A6HSD17B10HPGD
SCHEMBL25205 0.76 MAPT (0.67) NCEH1TSHRCYP1A2CYP2A6MAPT
SCHEMBL4370126 0.75 MAPT (0.55) CYP1A2MAPTCYP3A4HPGDRAB9A
SCHEMBL24299849 0.75 NCEH1 (0.57) NCEH1TSHRCYP1A2CYP2A6MAPT
SCHEMBL2497894 0.74 TSHR (0.48) NCEH1TSHRCYP1A2CYP2A6MAPT
SCHEMBL30657140 0.74 NCEH1 (0.53) NCEH1TSHRCYP1A2CYP2A6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431663-B2 Polymer and method for producing same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-04-30 US disclosed
US-8389656-B2 Copolymer and method for producing same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-03-05 US disclosed
US-20110245441-A1 POLYMER AND METHOD FOR PRODUCING SAME TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-10-06 US disclosed
US-20110245440-A1 COPOLYMER AND METHOD FOR PRODUCING SAME TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-10-06 US disclosed