SCHEMBL14019097

SCHEMBL14019097

COc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc2c1-c1c(OC)ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.57
▸ ESR1 P03372 2/20 0.50
▸ ESR2 Q92731 2/20 0.50
▸ CYP11B1 P15538 3/20 0.46
▸ CYP11B2 P19099 3/20 0.46
▸ CYP19A1 P11511 2/20 0.46
▸ HSD17B1 P14061 2/20 0.46
▸ HSD17B2 P37059 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NQO1 P15559 1/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ TDO2 P48775 2/20 0.43
▸ ACACA Q13085 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.43
▸ LMNA P02545 2/20 0.42

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
SCHEMBL14019096 0.95 MAPT (0.59) MAPTESR1ESR2CYP11B1CYP11B2
SCHEMBL14019098 0.94 MAPT (0.57) MAPTESR1ESR2CYP11B1CYP11B2
SCHEMBL14981161 0.94 MAPT (0.59) MAPTESR1ESR2CYP11B1CYP11B2
SCHEMBL14019086 0.92 MAPT (0.64) MAPTESR1ESR2CYP11B1CYP11B2
SCHEMBL14019139 0.90 MAPT (0.53) MAPTESR1ESR2CYP11B1CYP11B2
SCHEMBL5979409 0.90 MAPT (0.51) MAPTESR1ESR2CYP11B1CYP11B2
SCHEMBL14019081 0.86 MAPT (0.68) MAPTCYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL14019134 0.84 MAPT (0.56) MAPTESR1ESR2ACACALMNA
SCHEMBL14019090 0.82 MAPT (0.58) MAPTCYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL14019144 0.82 NPC1 (0.62) MAPTCYP1A2CYP3A4CYP2C9LMNA

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
US-7442447-B2 Binaphthol based chromophores for the fabrication of blue organic light emitting diodes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-28 — — US disclosed
US-7442447-B2 Binaphthol based chromophores for the fabrication of blue organic light emitting diodes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-28 — — US disclosed
Send feedback