SCHEMBL7708841

SCHEMBL7708841

CCOC(=O)C1CCc2ccccc2C1O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
BLM P54132 1/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.41
PIN1 Q13526 1/20 0.40
FFAR1 O14842 2/20 0.40
XBP1 P17861 1/20 0.39
HTT P42858 1/20 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
SCHEMBL8037300 1.00 TSHR (0.43) TSHRCYP1A2CYP2C19MAPTPKM
SCHEMBL8048116 1.00 TSHR (0.43) TSHRCYP1A2CYP2C19MAPTPKM
SCHEMBL8049334 0.85 TSHR (0.45) TSHRCYP1A2CYP2C19MAPTPKM
SCHEMBL8037835 0.85 TSHR (0.45) TSHRCYP1A2CYP2C19MAPTPKM
SCHEMBL10581361 0.84 PIN1 (0.46) TSHRCYP1A2MAPTBLMPIN1
SCHEMBL8055172 0.82 HSD17B1 (0.44) MAPT
SCHEMBL8047432 0.82 HSD17B1 (0.44) MAPT
SCHEMBL25598732 0.81 MEN1 (0.45) TSHRMAPTALDH1A1HTT
SCHEMBL8055202 0.81 MEN1 (0.42) TSHRMAPTALDH1A1KDM4EHTT
SCHEMBL2064898 0.81 MEN1 (0.42) TSHRMAPTALDH1A1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed