SCHEMBL30303152

SCHEMBL30303152

CCCCCCCCC(=O)NCc1ccc(OC)c(OCC)c1

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.86
▸ CYP1A2 P05177 2/20 0.74
▸ CYP3A4 P08684 2/20 0.74
▸ CYP2D6 P10635 2/20 0.74
▸ HPGD P15428 2/20 0.74
▸ ALDH1A1 P00352 1/20 0.74
▸ CYP2C9 P11712 1/20 0.74
▸ ALOX15 P16050 1/20 0.74
▸ CYP2C19 P33261 1/20 0.74
▸ BLM P54132 1/20 0.74
▸ PMP22 Q01453 1/20 0.74
▸ TRPV1 Q8NER1 7/20 0.69
▸ MEN1 O00255 1/20 0.65
▸ TP53 P04637 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ MTOR P42345 1/20 0.65
▸ KMT2A Q03164 1/20 0.65

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
SCHEMBL28969961 1.00 EPHX2 (0.86) EPHX2CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL19354412 0.95 EPHX2 (0.86) EPHX2CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL17778311 0.92 EPHX2 (1.00) EPHX2CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL28721241 0.92 EPHX2 (1.00) EPHX2CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL28721305 0.92 EPHX2 (1.00) EPHX2CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL29549399 0.92 EPHX2 (1.00) EPHX2CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL28664721 0.92 EPHX2 (1.00) EPHX2CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL17335626 0.91 EPHX2 (0.97) EPHX2CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL28969962 0.86 CYP1A2 (0.80) EPHX2CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL30303109 0.86 CYP1A2 (0.80) EPHX2CYP1A2CYP3A4CYP2D6HPGD

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-115819255-A Synthesis method of capsaicin substance 湖北航天化学技术研究所 2023-03-21 — — CN disclosed
Send feedback