SCHEMBL24818935

SCHEMBL24818935

Cn1cnnc1[Si@]1(c2cccc(-c3nc4cc(CO)cc(C(F)(F)F)c4o3)c2)C[C@H](C)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 9/20 0.34
▸ S1PR3 Q99500 8/20 0.34
▸ CBLB Q13191 7/20 0.32
▸ CBL P22681 6/20 0.32
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ CETP P11597 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
SCHEMBL24821953 0.86 ESR1 (0.35) CBLBCBLESR1ESR2
SCHEMBL24818937 0.86 TRPV3 (0.33) CBLB
SCHEMBL24818936 0.86 CBL (0.32) CBLBCBL
SCHEMBL24820656 0.85 CETP (0.33) S1PR1S1PR3CBLBCBLESR2
SCHEMBL30153109 0.81 CBLB (0.53) CBLBCBL
SCHEMBL24820655 0.78 CBLB (0.41) CBLBCBL
SCHEMBL24819786 0.77 S1PR1 (0.37) S1PR1S1PR3CBLBESR1ESR2
SCHEMBL30153127 0.77 S1PR1 (0.37) S1PR1S1PR3CBLBESR1ESR2
SCHEMBL24818674 0.74 VSIR (0.40) S1PR1S1PR3CBLBCETP
SCHEMBL24818926 0.74 HPGD (0.38) ESR1ESR2

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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