SCHEMBL9408190

SCHEMBL9408190

C=CC(C(=O)O)C1CCC([C@H]2CC[C@H](c3ccc(CC)cc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.32
▸ BCL2L1 Q07817 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ F2R P25116 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL9408370 0.96 MAPT (0.37) MAPTNPC1STAT1RAB9ASMN1; SMN2
SCHEMBL9408354 0.90 THRB (0.39) FFAR4CYP2C9SLC6A3
SCHEMBL9408344 0.90 THRB (0.39) FFAR4CYP2C9SLC6A3
SCHEMBL9408262 0.86 THRB (0.41) FFAR4CYP2C9SLC6A3
SCHEMBL9408251 0.86 THRB (0.41) FFAR4CYP2C9SLC6A3
SCHEMBL9408293 0.86 NPC1 (0.34) NPC1RAB9ASMN1; SMN2FFAR1SLC6A3
SCHEMBL9408302 0.86 NPC1 (0.34) NPC1RAB9ASMN1; SMN2FFAR1SLC6A3
SCHEMBL9408244 0.83 BCL2L1 (0.39) MAPTCYP2C9BCL2L1MCL1LMNA
SCHEMBL9408288 0.83 DPP4 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1SLC6A3
SCHEMBL9408253 0.83 HDAC2 (0.35) MAPTNPC1RAB9AALDH1A1CYP2C9

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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