SCHEMBL4601423

SCHEMBL4601423

CC1CC(C(=O)OC2CCCCC2)C(C)C2OC12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
NAAA Q02083 2/20 0.33
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32
CYP19A1 P11511 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP2C19 P33261 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
SCHEMBL294387 0.82 EPHX1 (0.44) EPHX1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4391063 0.80 EPHX1 (0.36) EPHX1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1297428 0.74 EPHX1 (0.48) EPHX1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2035380 0.74 EPHX1 (0.48) EPHX1CHRM2CHRM4CHRM5CHRM1
SCHEMBL13338812 0.73 EPHX1 (0.50) EPHX1CHRM2CHRM4CHRM5CHRM1
SCHEMBL28282345 0.73 EPHX1 (0.50) EPHX1CHRM2CHRM4CHRM5CHRM1
SCHEMBL5529159 0.72 EPHX1 (0.42) EPHX1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1296625 0.70 EPHX1 (0.48) EPHX1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2681392 0.70 EPHX1 (0.38) EPHX1CHRM2CHRM4CHRM5CHRM1
SCHEMBL13338790 0.70 PPM1B (0.41) EPHX1CHRM2CHRM4CHRM5CHRM1

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
EP-0905184-B1 Aromatic polycarbonate resin composition GEN ELECTRIC (US) 2008-04-23 EP disclosed
US-5973101-A COMPRISING A STABILIZER DEACTIVATING THE METAL IMPURITY, PREVENTING THE INTERACTION OF HYDROXYL END GROUPS OF POLYCARBONATES WITH METALS GENERAL ELECTRIC COMPANY (US) 1999-10-26 US disclosed
EP-0905184-A2 Aromatic polycarbonate resin composition GENERAL ELECTRIC COMPANY (US) 1999-03-31 EP disclosed