SCHEMBL31344082

SCHEMBL31344082

Cc1cc(C)c(C(=O)O)c(N2CCC3(CC2)CC3)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SCN10A Q9Y5Y9 3/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HPGD P15428 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RBP4 P02753 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ FABP3 P05413 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ FABP5 Q01469 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL31344078 1.00 ALDH1A1 (0.47) ALDH1A1MAPK1SMN1; SMN2SCN10AKDM4E
SCHEMBL31343943 0.86 SCN10A (0.45) ALDH1A1MAPK1SMN1; SMN2SCN10AFABP3
SCHEMBL31343874 0.85 SCN10A (0.40) ALDH1A1MAPK1SMN1; SMN2SCN10AKDM4E
SCHEMBL25388683 0.83 SCN10A (0.44) ALDH1A1MAPK1SMN1; SMN2SCN10AKDM4E
SCHEMBL30562528 0.83 SCN10A (0.44) ALDH1A1MAPK1SMN1; SMN2SCN10AKDM4E
SCHEMBL31343925 0.78 ALDH1A1 (0.40) ALDH1A1MAPK1SMN1; SMN2SCN10AKDM4E
SCHEMBL25389487 0.77 KMT2A (0.40) ALDH1A1MAPK1SMN1; SMN2SCN10AHPGD
SCHEMBL25389483 0.75 RBP4 (0.44) SCN10ARBP4KMT2AKIF18A
SCHEMBL16149339 0.75 SCN10A (0.45) ALDH1A1MAPK1SMN1; SMN2SCN10AHSD17B10
SCHEMBL21906092 0.73 SCN10A (0.56) ALDH1A1SCN10AFABP3CYP3A4CYP2D6

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-2025029890-A1 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2025-02-06 — — WO disclosed
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