SCHEMBL9256064

SCHEMBL9256064

CC[C@H](C)COCc1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
ALDH1A1 P00352 2/20 0.51
RXRA P19793 7/20 0.50
RXRB P28702 6/20 0.50
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXRG P48443 1/20 0.44
PLA2G4B P0C869 1/20 0.44
NR4A2 P43354 4/20 0.43
TBXAS1 P24557 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42

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
SCHEMBL9256061 1.00 MAPT (0.62) MAPTALDH1A1RXRARXRBNPC1
SCHEMBL1750698 0.85 ALDH1A1 (0.56) MAPTALDH1A1RXRARXRBNPC1
SCHEMBL9260592 0.84 MAPT (0.59) MAPTALDH1A1RXRARXRBPLA2G4B
SCHEMBL9259790 0.84 MAPT (0.59) MAPTALDH1A1RXRARXRBPLA2G4B
SCHEMBL25698415 0.82 ALDH1A1 (0.53) MAPTALDH1A1RXRARXRBNPC1
SCHEMBL9252651 0.82 MAPT (0.56) MAPTALDH1A1PLA2G4B
SCHEMBL9261968 0.82 MAPT (0.56) MAPTALDH1A1PLA2G4B
SCHEMBL9263045 0.82 MAPT (0.49) MAPTALDH1A1RXRARXRBNPC1
SCHEMBL19232139 0.81 HPGD (0.43) MAPTALDH1A1TBXAS1
SCHEMBL9259374 0.81 MAPT (0.55) MAPTALDH1A1PLA2G4B

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 6 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-5254747-A Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-19 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