SCHEMBL7303638

SCHEMBL7303638

CC(C)(C)OC(=O)CC1(O)CCC2(CC1)OCCO2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 1/20 0.32
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL17611975 0.84 EPHX2 (0.31) KMT2A
SCHEMBL16028488 0.79 CYP2C19 (0.49) LMNACYP2C19
SCHEMBL16076177 0.79 CYP2C19 (0.44) LMNACYP2C19
SCHEMBL12329471 0.78 CYP2C19 (0.51) LMNACYP2C19
SCHEMBL24360999 0.75 CYP2C19 (0.30) CYP2C19
SCHEMBL15867799 0.75 USP2 (0.33) KMT2AUSP2SMN1; SMN2
SCHEMBL23037193 0.75 CYP2C19 (0.34) LMNAKMT2ACYP2C19
SCHEMBL15867787 0.73 DGAT1 (0.33) KMT2AUSP2SMN1; SMN2
SCHEMBL7296150 0.73 CYP2C19 (0.37) LMNACYP2C19
SCHEMBL16169952 0.73 LMNA (0.36) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537980-A1 Cyclohexaneacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-04-21 EP disclosed