SCHEMBL5324006

SCHEMBL5324006

COc1ccc(-c2[c]cccc2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.53
CYP1B1 Q16678 5/20 0.53
CYP1A2 P05177 5/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2A6 P11509 2/20 0.53
CYP2E1 P05181 1/20 0.53
CYP2C8 P10632 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP4B1 P13584 1/20 0.53
CYP2B6 P20813 1/20 0.53
CYP3A5 P20815 1/20 0.53
CYP2A7 P20853 1/20 0.53
CYP3A7 P24462 1/20 0.53
CYP2F1 P24903 1/20 0.53
CYP2C18 P33260 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP2J2 P51589 1/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4F8 P98187 1/20 0.53

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
SCHEMBL5321804 0.87 HDAC4 (0.48) CYP1A1CYP1B1CYP1A2CYP3A4CYP2A6
SCHEMBL6616034 0.83 GAA (0.41) CYP1A1CYP1B1CYP1A2CYP3A4CYP2A6
SCHEMBL1293107 0.83 PTPN1 (0.47) CYP1A2CYP3A4CYP2A6CYP2D6CYP2C19
SCHEMBL27553842 0.83 MAOB (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6189588 0.83 CYP1A1 (0.51) CYP1A1CYP1B1CYP1A2CYP3A4CYP2A6
SCHEMBL336434 0.80 APP (0.47) CA12CA1CA2CA7CA9
SCHEMBL3223322 0.79 CYP1A2 (0.41) CYP1A1CYP1B1CYP1A2CYP3A4CYP2A6
SCHEMBL8532282 0.78 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2CYP3A4CYP2A6
SCHEMBL11523591 0.77 CYP1A1 (0.53) CYP1A1CYP1B1CYP1A2CYP3A4CYP2A6
SCHEMBL29589241 0.75 CYP1A1 (0.69) CYP1A1CYP1B1CYP1A2CYP3A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed