SCHEMBL28386231

SCHEMBL28386231

CCCCCCCCC(=O)N(Cc1ccc(O)c(OC)c1)Cc1ccc(O)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.65
▸ CYP2C9 P11712 4/20 0.65
▸ CYP2C19 P33261 4/20 0.65
▸ CYP1A2 P05177 3/20 0.65
▸ CYP2C8 P10632 3/20 0.65
▸ CYP2B6 P20813 3/20 0.65
▸ CYP2D6 P10635 3/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ TRPV1 Q8NER1 2/20 0.59
▸ HTR1A P08908 2/20 0.57
▸ CYP2A6 P11509 2/20 0.57
▸ CYP2E1 P05181 1/20 0.57
▸ LTA4H P09960 1/20 0.57

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
SCHEMBL28400947 1.00 CYP3A4 (0.65) CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8
SCHEMBL7774201 0.90 CYP1A2 (0.52) CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8
SCHEMBL7795393 0.89 CYP3A4 (0.64) CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8
SCHEMBL11105252 0.84 CYP1A2 (0.57) CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8
SCHEMBL11101082 0.84 CYP1A2 (0.57) CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8
SCHEMBL28904170 0.83 CYP1A2 (0.58) CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8
SCHEMBL28894516 0.83 CYP3A4 (0.58) CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8
SCHEMBL28894778 0.83 CYP3A4 (0.58) CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8
SCHEMBL12802334 0.83 TRPV1 (0.66) CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8
SCHEMBL16715940 0.83 TRPV1 (0.66) CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111067049-A Shaddock-flavored dried chili and preparation process thereof 江门市新会区广记果园农业有限公司 2020-04-28 — — CN disclosed
CN-111053210-A Orange-flavored dried chili and preparation process thereof 江门市新会区李氏神农柑普茶有限公司 2020-04-24 — — CN disclosed
CN-111034953-A Dried orange chili and preparation process thereof 江门市新会区李氏神农柑普茶有限公司 2020-04-21 — — CN disclosed
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