SCHEMBL31456038

SCHEMBL31456038

COc1cc(F)c(O)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 3/20 0.41
▸ ALOX15 P16050 2/20 0.39
▸ ALOX12 P18054 2/20 0.39
▸ RPS6KA3 P51812 1/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ BCR P11274 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ ABCB1 P08183 1/20 0.36
▸ LCK P06239 1/20 0.36

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
SCHEMBL24445820 0.86 ALDH1A1 (0.50) ALOX5TAAR1CA1CA2ALDH1A1
SCHEMBL1119249 0.84 ALOX5 (0.54) ALOX5PTGS2CA1CA2ALDH1A1
SCHEMBL25434346 0.77 TAAR1 (0.47) TAAR1CA1CA2ALDH1A1CYP3A4
SCHEMBL8990149 0.77 GABRA1 (0.52) ALOX5PTGS2CA1CA2ALDH1A1
SCHEMBL1552502 0.77 ALDH1A1 (0.50) PTGS2TAAR1CA1CA2ALDH1A1
SCHEMBL18419016 0.76 ALOX5 (0.69) ALOX5PTGS2CA1CA2ALDH1A1
SCHEMBL31456115 0.76 CA2 (0.46) TAAR1CA1CA2ALDH1A1TSHR
SCHEMBL18894018 0.74 ALOX5 (0.45) ALOX5PTGS2CA1CA2ALDH1A1
SCHEMBL4463386 0.74 MEN1 (0.48) ALOX5PTGS2CA1CA2ALDH1A1
SCHEMBL27191754 0.74 TAAR1 (0.44) TAAR1CA2ALDH1A1CYP3A4CYP1A1

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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