SCHEMBL2688429

SCHEMBL2688429

Fc1cccc(-c2cccc(-c3cccc(BCc4ccccc4)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.45
▸ CYP11B2 P19099 2/20 0.43
▸ CYP17A1 P05093 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ ESR2 Q92731 1/20 0.40
▸ SRC P12931 1/20 0.37
▸ DCLRE1B Q9H816 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ NR4A1 P22736 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ NR4A3 Q92570 1/20 0.36
▸ KAT6A Q92794 1/20 0.35
▸ RELA Q04206 1/20 0.35

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
SCHEMBL2686945 0.88 TAAR1 (0.41) TAAR1CYP11B2CYP11B1PPARGPPARA
SCHEMBL13994398 0.79 TAAR1 (0.47) TAAR1CYP11B2CYP11B1
2-Phenylimidazole SCHEMBL9783251 0.76 NISCH (0.51) TAAR1CYP11B2CYP17A1CYP3A4CYP11B1
SCHEMBL27652491 0.74 TAAR1 (0.64) TAAR1CYP11B2CYP17A1CYP3A4CYP11B1
SCHEMBL30704326 0.74 TAAR1 (0.64) TAAR1CYP11B2CYP17A1CYP3A4CYP11B1
SCHEMBL13994399 0.73 ACHE (0.44) TAAR1CYP11B2CYP17A1CYP3A4CYP11B1
SCHEMBL28102063 0.72 TAAR1 (0.61) TAAR1CYP11B2CYP17A1CYP3A4CYP11B1
Biphenyl SCHEMBL25183774 0.72 TAAR1 (0.67) TAAR1CYP11B2CYP17A1CYP3A4CYP11B1
SCHEMBL275277 0.72 CALM1 (0.43) TAAR1
SCHEMBL29451178 0.72 TAAR1 (0.67) TAAR1CYP11B2CYP17A1CYP3A4CYP11B1

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-8089658-B2 Image forming device and method for controlling toner temperature on photoreceptor when a toner image is exposed to light FUJI XEROX CO., LTD. (JP) 2012-01-03 — — US disclosed
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