SCHEMBL22671622

SCHEMBL22671622

C=C/C(=C\C=C(/C)N(c1ccccc1)c1ccc(-c2cccc3ccccc23)cc1)c1c(-c2ccccc2)c2ccccc2c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 8/20 0.33
▸ PPARA Q07869 8/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ MCL1 Q07820 1/20 0.30
▸ ACMSD Q8TDX5 1/20 0.30
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30

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
SCHEMBL19544819 0.84 CYP2C9 (0.39) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL22671714 0.82 GPR84 (0.31) —
SCHEMBL19544820 0.82 HDAC8 (0.35) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL22868392 0.75 MCL1 (0.32) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL22932216 0.74 KMO (0.36) PPARGPPARACYP2C9CYP2C19CYP1A2
SCHEMBL19991630 0.73 PPARG (0.32) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL23951442 0.72 CASP3 (0.33) —
SCHEMBL22640636 0.71 — —
SCHEMBL19851285 0.70 SIGMAR1 (0.42) CYP2C9CYP2C19CYP1A2SIGMAR1
SCHEMBL22671291 0.70 CA12 (0.42) PPARGPPARACYP2C9CYP2C19PPARD

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-20200365814-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2020-11-19 — — US disclosed
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