SCHEMBL31456015

SCHEMBL31456015

CCCCCc1cc(OC)c(C=O)cc1CC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR2A P28223 1/20 0.46
ALOX5 P09917 7/20 0.45
PTGS2 P35354 4/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL26611833 0.89 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1HTR2A
SCHEMBL27001993 0.88 HTR2A (0.56) ALDH1A1KDM4ETSHRTDP1HTR2A
SCHEMBL27002063 0.88 HTR2A (0.56) ALDH1A1KDM4ETSHRTDP1HTR2A
SCHEMBL20135982 0.87 ALDH1A1 (0.63) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL31456113 0.85 PRKDC (0.46) ALDH1A1KDM4ETSHRTDP1HTR2A
SCHEMBL31456110 0.84 HTR2A (0.46) ALDH1A1KDM4ETSHRTDP1HTR2A
SCHEMBL31456177 0.80 PRKDC (0.47) ALDH1A1KDM4ETSHRTDP1HTR2A
SCHEMBL14655201 0.79 TAAR1 (0.50) HTR2AALOX5PTGS2PPARATAAR1
SCHEMBL4071797 0.78 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL668963 0.78 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRTDP1LMNA

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