SCHEMBL24819786

SCHEMBL24819786

Cn1cnnc1-c1ccccc1-c1cccc(-c2nc3cc(CO)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 10/20 0.37
▸ S1PR3 Q99500 8/20 0.37
▸ VSIR Q9H7M9 5/20 0.36
▸ CBLB Q13191 2/20 0.36
▸ CETP P11597 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 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
SCHEMBL30153127 1.00 S1PR1 (0.37) S1PR1S1PR3VSIRCBLBCETP
SCHEMBL24818674 0.92 VSIR (0.40) S1PR1S1PR3VSIRCBLBCETP
SCHEMBL30152890 0.90 CBLB (0.40) S1PR1S1PR3VSIRCBLBCETP
SCHEMBL24818896 0.90 CBLB (0.40) S1PR1S1PR3VSIRCBLBCETP
SCHEMBL24818731 0.89 NPC1 (0.40) S1PR1S1PR3VSIRCBLBCETP
SCHEMBL30153234 0.88 CETP (0.34) S1PR1S1PR3VSIRCBLBCETP
SCHEMBL24819914 0.88 CETP (0.34) S1PR1S1PR3VSIRCBLBCETP
SCHEMBL30152815 0.87 VSIR (0.40) S1PR1S1PR3VSIRCBLB
SCHEMBL24820062 0.87 VSIR (0.40) S1PR1S1PR3VSIRCBLB
SCHEMBL24819869 0.87 CBLB (0.43) VSIRCBLBSCN9A

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-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
Send feedback