SCHEMBL24820656

SCHEMBL24820656

COC(=O)c1cc(C(F)(F)F)c2oc(-c3cccc([Si@]4(c5nncn5C)C[C@@H](C)C4)c3)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 4/20 0.33
▸ S1PR1 P21453 3/20 0.32
▸ ESR2 Q92731 1/20 0.31
▸ CBLB Q13191 6/20 0.31
▸ CBL P22681 4/20 0.31
▸ HPGD P15428 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ S1PR3 Q99500 2/20 0.30
▸ RBP4 P02753 1/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL24818926 0.89 HPGD (0.38) ESR2HPGDMAPTKDM4EALDH1A1
SCHEMBL24818936 0.85 CBL (0.32) CBLBCBL
SCHEMBL24818935 0.85 S1PR1 (0.34) CETPS1PR1ESR2CBLBCBL
SCHEMBL30152954 0.81 CBLB (0.51) CBLBCBL
SCHEMBL30792112 0.81 CBLB (0.51) CBLBCBL
SCHEMBL24819910 0.81 CBLB (0.51) CBLBCBL
SCHEMBL24818937 0.79 TRPV3 (0.33) CBLB
SCHEMBL24819809 0.78 CETP (0.38) CETPS1PR1ESR2CBLBHPGD
SCHEMBL30153136 0.78 CETP (0.38) CETPS1PR1ESR2CBLBHPGD
SCHEMBL24821953 0.76 ESR1 (0.35) ESR2CBLBCBLHPGD

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
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