SCHEMBL31455991

SCHEMBL31455991

CCCCCc1cc(OC)c(/C=C(\CC)[N+](=O)[O-])cc1CC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 8/20 0.40
▸ PTGS2 P35354 5/20 0.39
▸ PPARA Q07869 3/20 0.38
▸ PPARG P37231 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL26611529 0.91 HTR2A (0.44) ALOX5PTGS2PPARAPPARGHTR2A
SCHEMBL26611525 0.91 HTR2A (0.44) ALOX5PTGS2PPARAPPARGHTR2A
SCHEMBL27002095 0.90 HTR2A (0.46) ALOX5PTGS2PPARAPPARGHTR2A
SCHEMBL27135892 0.90 HTR2A (0.46) ALOX5PTGS2PPARAPPARGHTR2A
SCHEMBL27002021 0.84 HTR2A (0.42) ALOX5PTGS2PPARAPPARGHTR2A
SCHEMBL27187239 0.83 TAAR1 (0.41) CYP3A4CYP2C19ALDH1A1KDM4ELMNA
SCHEMBL27187234 0.83 TAAR1 (0.41) CYP3A4CYP2C19ALDH1A1KDM4ELMNA
SCHEMBL27002114 0.82 HMGCR (0.42) HTR2ACYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL27187213 0.82 HMGCR (0.42) HTR2ACYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL29279519 0.80 HTR2A (0.39) ALOX5PTGS2PPARAPPARGHTR2A

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
WO-2025059373-A1 NOVEL PHENALKYLAMINES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2025-03-20 — — WO disclosed
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