SCHEMBL24818726

SCHEMBL24818726

Cn1cnnc1-c1cc(F)ccc1-c1cccc(-c2nc3cc(C(=O)O)cc(C(F)(F)F)c3o2)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.37
▸ S1PR1 P21453 6/20 0.37
▸ HPSE Q9Y251 4/20 0.35
▸ CBLB Q13191 3/20 0.35
▸ CETP P11597 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ VSIR Q9H7M9 1/20 0.34
▸ S1PR3 Q99500 3/20 0.34
▸ RORC P51449 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 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
SCHEMBL30152816 1.00 HPGD (0.37) HPGDS1PR1HPSECBLBCETP
SCHEMBL24818914 0.94 HPGD (0.37) HPGDS1PR1CBLBCETPSCN9A
SCHEMBL30153353 0.92 SCN9A (0.38) S1PR1CBLBCETPSCN9AS1PR3
SCHEMBL24818728 0.92 SCN9A (0.38) S1PR1CBLBCETPSCN9AS1PR3
SCHEMBL30153040 0.91 HPGD (0.37) HPGDS1PR1HPSECBLBCETP
SCHEMBL30792096 0.91 HPGD (0.37) HPGDS1PR1HPSECBLBCETP
SCHEMBL24818673 0.91 HPGD (0.37) HPGDS1PR1HPSECBLBCETP
SCHEMBL24819726 0.91 HPGD (0.39) HPGDCBLBCETPVSIRLMNA
SCHEMBL24819725 0.89 HPGD (0.34) HPGDS1PR1HPSECBLBCETP
SCHEMBL24818951 0.87 ESR2 (0.34) HPGDS1PR1CBLBCETPSCN9A

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