SCHEMBL30974640

SCHEMBL30974640

COc1ccc2cc(OC)c(-c3ccc4ccccc4c3OC)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2A6 P11509 2/20 0.50
▸ CYP11B1 P15538 4/20 0.47
▸ CYP11B2 P19099 4/20 0.47
▸ MAPT P10636 1/20 0.46
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2B6 P20813 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP17A1 P05093 1/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CYP2E1 P05181 1/20 0.43
▸ CYP2C8 P10632 1/20 0.43
▸ CYP4B1 P13584 1/20 0.43
▸ CYP3A5 P20815 1/20 0.43

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
SCHEMBL30974638 1.00 CYP1A2 (0.50) CYP1A2CYP2A6CYP11B1CYP11B2MAPT
SCHEMBL9781864 0.85 CYP1A2 (0.53) CYP1A2CYP2A6CYP11B1CYP11B2MAPT
SCHEMBL23371163 0.81 CYP1A2 (0.56) CYP1A2CYP2A6CYP11B1CYP11B2MAPT
SCHEMBL30092293 0.81 CYP1A2 (0.56) CYP1A2CYP2A6CYP11B1CYP11B2MAPT
SCHEMBL16082559 0.79 ALDH1A1 (0.54) CYP1A2CYP2A6MAPTMEN1KMT2A
SCHEMBL22743384 0.77 CYP1A1 (0.47) CYP1A2CYP2A6CYP11B1CYP11B2CYP3A4
SCHEMBL28232454 0.76 NQO1 (0.60) CYP1A2CYP2A6CYP11B1CYP11B2MAPT
SCHEMBL20101686 0.75 MAPT (0.69) CYP1A2CYP2A6CYP11B1CYP11B2MAPT
SCHEMBL28327203 0.75 RAB9A (0.57) CYP1A2CYP2A6CYP11B1CYP11B2MAPT
SCHEMBL20101688 0.74 CYP1A2 (0.57) CYP1A2CYP2A6CYP11B1CYP11B2MAPT

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
WO-2024166616-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2024-08-15 — — WO disclosed
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