SCHEMBL28446802

SCHEMBL28446802

CCCCCCCCC(=O)ONC(=O)c1ccc(O)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP2D6 P10635 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
TRPV1 Q8NER1 6/20 0.54
CYP2C8 P10632 1/20 0.53
CYP2B6 P20813 1/20 0.53

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
SCHEMBL28149526 0.90 SMPD1 (0.50) SMPD1TRPV1
SCHEMBL8656439 0.82 CYP1A2 (0.62) SMPD1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31313272 0.82 CYP1A2 (0.62) SMPD1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29565211 0.82 CYP1A2 (0.62) SMPD1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25207342 0.82 CYP1A2 (0.62) SMPD1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25235601 0.82 CYP1A2 (0.62) SMPD1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2683268 0.82 CYP1A2 (0.62) SMPD1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10651740 0.82 CYP1A2 (0.62) SMPD1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31313342 0.82 CYP1A2 (0.62) SMPD1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28102743 0.82 HTR4 (0.52) SMPD1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114522115-A Wrinkle-improving agent 宝丽化成工业有限公司 2022-05-24 CN disclosed
CN-114288200-A Wrinkle-improving agent 宝丽化成工业有限公司 2022-04-08 CN disclosed
CN-109996530-B Wrinkle-improving agent 宝丽化成工业有限公司 2022-04-05 CN disclosed
CN-110225739-B Wrinkle-improving agent 宝丽化成工业有限公司 2022-03-15 CN disclosed
CN-108697658-B Patch preparation 久光制药株式会社 2021-04-13 CN disclosed
CN-111655248-A Adhesive patch 久光制药株式会社 2020-09-11 CN disclosed