SCHEMBL9253704

SCHEMBL9253704

C/C=C/CC1CCC(C2CCC(OCCCCC)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
GBA1 P04062 2/20 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
SCHEMBL9250152 0.95 EPHX2 (0.30) EPHX2
SCHEMBL9252745 0.91 EPHX2 (0.34) EPHX2GBA1
SCHEMBL9246248 0.89
SCHEMBL9249344 0.86 CYP1A2 (0.32) EPHX2
SCHEMBL9249550 0.85 EPHX2 (0.33) EPHX2
SCHEMBL9256539 0.84 EPHX2 (0.33) EPHX2
SCHEMBL9252386 0.84 EPHX2 (0.33) EPHX2GBA1
SCHEMBL9245642 0.84 NOS1 (0.30)
SCHEMBL9319298 0.83 EPHX2 (0.32) EPHX2GBA1
SCHEMBL14366474 0.81 GBA1 (0.38) EPHX2GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5454974-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1995-10-03 US disclosed
US-5302317-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
EP-0315014-B1 Halogenated benzene derivatives HOFFMANN LA ROCHE (CH) 1994-01-12 EP disclosed
EP-0315050-B1 ALCENYL BICYCLOHEXANES F. HOFFMANN-LA ROCHE AG (CH) 1993-09-01 EP disclosed
US-5230826-A HALOBENZENE LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1993-07-27 US disclosed
US-5013477-A Alkenylbicyclohexane liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed
EP-0331933-A2 Liquid crystal mixture with a low optical anisotropy F. HOFFMANN-LA ROCHE AG (CH) 1989-09-13 EP disclosed
EP-0315014-A2 Halogenated benzene derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-05-10 EP disclosed
EP-0315050-A2 Alcenyl bicyclohexanes F. HOFFMANN-LA ROCHE AG (CH) 1989-05-10 EP disclosed