SCHEMBL31435341

SCHEMBL31435341

COc1nc(C(F)(F)F)ccc1COc1ccc2c(c1)CCC(C=O)=C2C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.45
S1PR3 Q99500 3/20 0.45
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
SRD5A1 P18405 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MBOAT4 Q96T53 1/20 0.35
CYP26A1 O43174 2/20 0.33
CYP24A1 Q07973 2/20 0.33
TRPV1 Q8NER1 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
SCHEMBL1874151 0.79 SRD5A1 (0.55) S1PR1MAOBMAOASRD5A1CYP26A1
SCHEMBL31435279 0.78 S1PR1 (0.75) S1PR1S1PR3S1PR4S1PR5
SCHEMBL31435357 0.76 S1PR1 (0.65) S1PR1S1PR3S1PR4S1PR5
SCHEMBL465071 0.73 S1PR1 (0.62) S1PR1S1PR3MAOBMAOAS1PR4
SCHEMBL316466 0.73 CYP26A1 (0.48) CYP26A1
SCHEMBL453927 0.72 S1PR1 (0.63) S1PR1S1PR3MAOBMAOAS1PR4
SCHEMBL450942 0.72 MAOB (0.56) S1PR1MAOBMAOASRD5A1
SCHEMBL31435355 0.72 MAOB (0.37) S1PR1S1PR3MAOBMAOAS1PR4
SCHEMBL31435363 0.72 MAOB (0.37) S1PR1S1PR3MAOBMAOAS1PR4
SCHEMBL10088965 0.70 S1PR1 (0.49) S1PR1S1PR3MAOBMAOAS1PR4

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