SCHEMBL31435355

SCHEMBL31435355

CC1=C(C=O)CCc2cc(OCc3ccc(C4CCC4)c(C(F)(F)F)n3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.37
MAOA P21397 4/20 0.37
ALOX5AP P20292 4/20 0.34
S1PR1 P21453 8/20 0.34
S1PR3 Q99500 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
FEN1 P39748 2/20 0.32
GPR84 Q9NQS5 2/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL31435363 1.00 MAOB (0.37) MAOBMAOAALOX5APS1PR1S1PR3
SCHEMBL31435295 0.81 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5
SCHEMBL31435341 0.72 S1PR1 (0.45) MAOBMAOAS1PR1S1PR3S1PR4
SCHEMBL1874151 0.71 SRD5A1 (0.55) MAOBMAOAS1PR1
SCHEMBL450942 0.70 MAOB (0.56) MAOBMAOAS1PR1
SCHEMBL10088965 0.68 S1PR1 (0.49) MAOBMAOAS1PR1S1PR3S1PR4
SCHEMBL19432985 0.67 DRD2 (0.39) MAOB
SCHEMBL10310545 0.67 MAOA (0.36) MAOBMAOAS1PR1S1PR3PPARD
SCHEMBL10088588 0.67 SRD5A1 (0.42) MAOBMAOAS1PR1S1PR3
SCHEMBL316466 0.66 CYP26A1 (0.48)

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-2025090792-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-05-01 WO disclosed