SCHEMBL9408291

SCHEMBL9408291

C[C@H]1CC[C@H]([C@H]2CC[C@H](C=CCCC(=O)O)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 1/20 0.37
RXRA P19793 1/20 0.37
PPARG P37231 1/20 0.37
OXER1 Q8TDS5 1/20 0.37
TBXAS1 P24557 2/20 0.32
EPHX2 P34913 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
SCHEMBL9408261 0.87 MAPT (0.35) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL9408336 0.83 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9408452 0.81 MAPT (0.38) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL9408320 0.79 MAPT (0.49) FFAR1ALDH1A1MAPTCYP19A1PPARG
SCHEMBL9408479 0.78 MAPT (0.45) FFAR1ALDH1A1MAPTCYP19A1PPARG
SCHEMBL6794071 0.77 ALDH1A1 (0.40) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL28530325 0.77
SCHEMBL6794065 0.77 ALDH1A1 (0.40) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL9408284 0.76 TBXA2R (0.42) FFAR1TBXAS1
SCHEMBL8448065 0.75

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