SCHEMBL31313342

SCHEMBL31313342

CCCCCCCC(=O)NC(=O)c1ccc(O)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.62
CYP3A4 P08684 3/20 0.62
CYP2D6 P10635 2/20 0.62
HPGD P15428 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
ALDH1A1 P00352 1/20 0.62
ALOX15 P16050 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
TRPV1 Q8NER1 5/20 0.59
SMPD1 P17405 1/20 0.56
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
MTOR P42345 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP2C8 P10632 1/20 0.55
CYP2B6 P20813 1/20 0.55

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
SCHEMBL8656439 1.00 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6HPGDCYP2C9
SCHEMBL31313272 1.00 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6HPGDCYP2C9
SCHEMBL29565211 1.00 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6HPGDCYP2C9
SCHEMBL25207342 1.00 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6HPGDCYP2C9
SCHEMBL10651740 1.00 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6HPGDCYP2C9
SCHEMBL25235601 1.00 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6HPGDCYP2C9
SCHEMBL2683268 1.00 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6HPGDCYP2C9
SCHEMBL28522760 0.99 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6HPGDCYP2C9
SCHEMBL28513121 0.99 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6HPGDCYP2C9
SCHEMBL3191884 0.93 TRPV1 (0.67) CYP1A2CYP3A4CYP2D6HPGDALDH1A1

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
CN-119432110-A Rat-proof material for plugging power grid and preparation method thereof 广东广昆环境科技有限公司 2025-02-14 CN disclosed