SCHEMBL31456110

SCHEMBL31456110

CCCCCCc1cc(OC)c(C=O)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
PRKDC P78527 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX5 P09917 7/20 0.44
PTGS2 P35354 4/20 0.44
TRPV1 Q8NER1 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL31456113 0.99 PRKDC (0.46) HTR2APRKDCKDM4EALDH1A1TSHR
SCHEMBL31456177 0.94 PRKDC (0.47) HTR2APRKDCKDM4EALDH1A1TSHR
SCHEMBL31456012 0.88 ALDH1A1 (0.50) HTR2APRKDCKDM4EALDH1A1TSHR
SCHEMBL27001993 0.87 HTR2A (0.56) HTR2AKDM4EALDH1A1TSHRTDP1
SCHEMBL27002063 0.87 HTR2A (0.56) HTR2AKDM4EALDH1A1TSHRTDP1
SCHEMBL26611833 0.85 ALDH1A1 (0.55) HTR2APRKDCKDM4EALDH1A1TSHR
SCHEMBL31456015 0.84 ALDH1A1 (0.49) HTR2AKDM4EALDH1A1TSHRTDP1
SCHEMBL2041102 0.80 GPR84 (0.41) TSHRTDP1ALOX5PTGS2LMNA
SCHEMBL2037935 0.80 GPR84 (0.41) TSHRTDP1ALOX5PTGS2LMNA
SCHEMBL20451172 0.79 ALDH1A1 (0.47) HTR2APRKDCKDM4EALDH1A1TSHR

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