SCHEMBL9261968

SCHEMBL9261968

CCC(C)COCCCc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
RARB P10826 7/20 0.51
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
RARA P10276 1/20 0.49
MTOR P42345 1/20 0.49
KMT2A Q03164 1/20 0.49
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
MAPK1 P28482 1/20 0.40
PLA2G4B P0C869 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9252651 1.00 MAPT (0.56) MAPTRARBALDH1A1MEN1RARA
SCHEMBL9259374 0.96 MAPT (0.55) MAPTRARBALDH1A1MEN1RARA
SCHEMBL9260592 0.91 MAPT (0.59) MAPTRARBALDH1A1MEN1RARA
SCHEMBL9259790 0.91 MAPT (0.59) MAPTRARBALDH1A1MEN1RARA
SCHEMBL9256064 0.82 MAPT (0.62) MAPTALDH1A1PLA2G4B
SCHEMBL9256061 0.82 MAPT (0.62) MAPTALDH1A1PLA2G4B
SCHEMBL9260483 0.82 ESR1 (0.47) ALDH1A1TP53
SCHEMBL9259724 0.82 ESR1 (0.47) ALDH1A1TP53
SCHEMBL9254260 0.82 KMT2A (0.44) MAPTKMT2A
SCHEMBL9254278 0.81 RARB (0.55) MAPTRARBALDH1A1MEN1RARA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385693-A Having rapid response and low phase transition temperature SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0357372-B1 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL CO (JP) 1994-11-17 EP disclosed
US-5264151-A Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-23 US disclosed
US-5124070-A High speed response SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-23 US disclosed
EP-0357372-A2 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-07 EP disclosed