SCHEMBL9803754

SCHEMBL9803754

CCOc1ccc(-c2ccc(OC(=O)C(F)CC(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
PTGS2 P35354 1/20 0.42
PARP10 Q53GL7 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
NQO1 P15559 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL9803484 0.89 RARB (0.48) NPSR1LMNATAS1R3TAS1R1
SCHEMBL9803292 0.89 TAS1R3 (0.49) ACACBACACANPSR1MAPTLMNA
SCHEMBL9803244 0.87 RARB (0.52) NPSR1LMNATP53
SCHEMBL9803392 0.85 RARB (0.54) LMNATP53
SCHEMBL9803542 0.85 RARB (0.54) LMNATP53
SCHEMBL9803366 0.85 RARB (0.54) LMNATP53
SCHEMBL9803431 0.85 RARB (0.54) LMNATP53
SCHEMBL9802879 0.85 RARB (0.54) LMNATP53
SCHEMBL9803397 0.85 RARB (0.54) LMNATP53
SCHEMBL9803253 0.85 RARB (0.54) LMNATP53

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-0159872-B1 SMECTIC LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITIONS AJINOMOTO CO., INC. (JP) 1991-03-06 EP disclosed