SCHEMBL14062995

SCHEMBL14062995

Fc1cc(-c2ccc(CC3CO3)cc2)ccc1-c1ccc(CC2CO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 3/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ KIF11 P52732 1/20 0.37
▸ CHKA P35790 1/20 0.36
▸ CALML3 P27482 2/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ RARB P10826 1/20 0.33

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
SCHEMBL14063013 0.92 CHKA (0.38) GRM2HTR2ACHKACALML3PDE3B
SCHEMBL14062857 0.87 GRM2 (0.43) GRM2HTR2ACHKA
SCHEMBL14062587 0.87 CYP17A1 (0.47) GRM2HTR2AKIF11CYP17A1CYP11B1
SCHEMBL14063166 0.84 CYP3A4 (0.35) GRM2HTR2A
SCHEMBL14062992 0.83 CHKA (0.35) GRM2HTR2ACHKA
SCHEMBL14063033 0.82 GRM2 (0.41) GRM2HTR2A
SCHEMBL14063010 0.80 MGLL (0.38) —
SCHEMBL708540 0.80 MGLL (0.38) —
SCHEMBL14062723 0.79 MAOB (0.42) GRM2
SCHEMBL14062596 0.79 CYP11B1 (0.48) CYP11B1CYP11B2

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
US-7425354-B2 Photopolymerizable liquid crystal composition, its polymer or polymer composition, and optical compensation element CHISSO CORPORATION (JP) 2008-09-16 — — US disclosed
Send feedback