SCHEMBL31455992

SCHEMBL31455992

CCCc1cc(OC)c(/C=C(\CO)[N+](=O)[O-])cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPT P10636 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CHEK1 O14757 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33

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
SCHEMBL27002114 0.92 HMGCR (0.42) HMGCRTAAR1ALDH1A1KDM4ETDP1
SCHEMBL27187213 0.92 HMGCR (0.42) HMGCRTAAR1ALDH1A1KDM4ETDP1
SCHEMBL27002021 0.91 HTR2A (0.42) ALDH1A1KDM4EMAPTCYP3A4LMNA
SCHEMBL27187236 0.90 HMGCR (0.40) HMGCRTAAR1ALDH1A1KDM4ETDP1
SCHEMBL27187233 0.90 HMGCR (0.40) HMGCRTAAR1ALDH1A1KDM4ETDP1
SCHEMBL27188071 0.84 HMGCR (0.42) HMGCRTAAR1ALDH1A1KDM4ETDP1
SCHEMBL27002091 0.84 HMGCR (0.42) HMGCRTAAR1ALDH1A1KDM4ETDP1
SCHEMBL26611525 0.84 HTR2A (0.44) TAAR1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL26611529 0.84 HTR2A (0.44) TAAR1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL27187239 0.82 TAAR1 (0.41) TAAR1ALDH1A1KDM4ETDP1MAPT

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
Send feedback