SCHEMBL8615670

SCHEMBL8615670

CCC[C@](C)(CC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
FFAR3 O14843 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GGT1 P19440 1/20 0.32
FDPS P14324 1/20 0.32
ARG1 P05089 1/20 0.31

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
SCHEMBL163170 1.00 TSHR (0.46) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL8616423 1.00 TSHR (0.46) TSHRCYP2D6CYP2C19HIF1AALDH1A1
Ammonia Solution, Strong SCHEMBL27590654 0.97 TSHR (0.44) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL9177238 0.95 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL9179079 0.89 TSHR (0.50) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL1685057 0.89 TSHR (0.50) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL29247968 0.89 TSHR (0.38) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL9180120 0.86 TSHR (0.48) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL277350 0.85 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL3372717 0.84 TSHR (0.46) TSHRCYP2D6CYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827855-A ANTICHOLESTEROL AGENTS TREATING CARDIOVASCULAR DISORDERS; ENZYME INHIBITORS SANKYO COMPANY, LIMITED (JP) 1998-10-27 US disclosed
CN-1039642-C Derivative of hexahydronaphthalene ester, their preparation and their therapeutic uses SANKYO CO (JP) 1998-09-02 CN disclosed
EP-0605230-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1997-08-27 EP disclosed
US-5451688-A Inhibit biosynthesis of cholesterol SANKYO COMPANY, LIMITED (JP) 1995-09-19 US disclosed
CN-1094707-A Hexahydro-naphthalene ester derivative, their preparation and their application aspect treatment SANKYO CO (JP) 1994-11-09 CN disclosed
EP-0605230-A1 Hexanhydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-07-06 EP disclosed