SCHEMBL9408441

SCHEMBL9408441

C=CC(C(=O)O)C1CCC(c2ccc(Cl)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ PANK3 Q9H999 1/20 0.33
▸ APP P05067 1/20 0.33
▸ SMURF2 Q9HAU4 1/20 0.33
▸ SMURF1 Q9HCE7 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ SLC6A2 P23975 4/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ USP5 P45974 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31

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
SCHEMBL9408358 0.96 USP5 (0.32) GPR139PPARGPPARAPANK3APP
SCHEMBL9408419 0.88 USP5 (0.38) APPUSP5HDAC6
SCHEMBL9408471 0.85 USP5 (0.38) APPUSP5HDAC6
SCHEMBL9408194 0.85 KDM1A (0.38) APP
SCHEMBL9408209 0.82 KDM1A (0.40) PANK3
SCHEMBL9408184 0.82 KDM1A (0.35) APPUSP5HDAC6
SCHEMBL9408208 0.82 PPARG (0.34) GPR139PPARGPPARAPANK3APP
SCHEMBL9408307 0.81 MAPT (0.41) HSD11B1
SCHEMBL9408387 0.81 DPP4 (0.39) APP
SCHEMBL9408309 0.79 USP5 (0.33) GPR139PPARGPPARAPANK3MRGPRX4

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
EP-0595144-A1 Cyclohexyl alkenoates as components of liquid crystalline mixtures F. HOFFMANN-LA ROCHE AG (CH) 1994-05-04 — — EP disclosed
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