SCHEMBL9033971

SCHEMBL9033971

c1ccc(C2(c3ccccc3)COc3ccccc3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.37
OPRM1 P35372 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
HTR2A P28223 1/20 0.33
HDAC9 Q9UKV0 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
SCHEMBL14182625 0.78 OXTR (0.39) OXTRMAOAMAOBABCG2
SCHEMBL6063539 0.78 OPRL1 (0.36) OXTROPRM1MAOAMAOBHDAC9
SCHEMBL236649 0.75 OXTR (0.42) OXTRMAOAMAOBKMT2AABCG2
SCHEMBL2977414 0.74 OPRM1 (0.38) OXTROPRM1MEN1CYP2C9KMT2A
SCHEMBL28644317 0.72 OXTR (0.39) OXTRMAOAMAOBKMT2AABCG2
SCHEMBL8453585 0.72 MEN1 (0.45) OPRM1MEN1CYP2C9KMT2AHTR2A
SCHEMBL7971051 0.72 OXTR (0.39) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL27514284 0.71 OXTR (0.30) OXTR
Hydrochloric Acid SCHEMBL27471846 0.71 OXTR (0.38) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL5078568 0.69 HTR1A (0.38) MEN1KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706526-A1 PHOTOCHROMIC COMPOUNDS Optische Werke G. Rodenstock (DE) 1996-04-17 EP disclosed
WO-1995000519-A1 PHOTOCHROMIC COMPOUNDS OPTISCHE WERKE G. RODENSTOCK (DE) 1995-01-05 WO disclosed