SCHEMBL8148796

SCHEMBL8148796

CCCOC(C)CCc1ccc(OC(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.46
THRB P10828 3/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGS2 P35354 1/20 0.39
THRA P10827 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL8158421 0.96 ACACB (0.44) ACACBTHRBLMNAL3MBTL1
SCHEMBL9254255 0.86 THRB (0.45) ACACBTHRBLMNAL3MBTL1NPC1
SCHEMBL9259438 0.85 THRB (0.47) ACACBTHRBLMNAL3MBTL1NPC1
SCHEMBL9259782 0.85 THRB (0.40) ACACBTHRBLMNAL3MBTL1NPC1
SCHEMBL8161551 0.82 MMP12 (0.47) ACACBTHRBLMNAL3MBTL1POLB
SCHEMBL18937134 0.82 LMNA (0.46) ACACBTHRBLMNANPC1RAB9A
SCHEMBL9261995 0.82 THRB (0.44) ACACBTHRBLMNAL3MBTL1SMN1; SMN2
SCHEMBL8156103 0.82 HSD17B10 (0.49) ACACBLMNAL3MBTL1POLBMAPT
SCHEMBL10448539 0.81 PPARG (0.43) THRBALDH1A1PTGS2THRA
SCHEMBL9259776 0.80 THRB (0.43) ACACBTHRBLMNAL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0806417-B1 Novel optically active benzene derivatives, process for producing the same and liquid-crystalline composition containing said derivatives as liquid-crystalline compound and light switching elements SUMITOMO CHEMICAL CO (JP) 2000-03-08 EP disclosed
US-5693251-A LIQUID CRYSTAL DISPLAYS; HIGH SPEED RESPONSE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-02 US disclosed
EP-0806417-A1 Novel optically active benzene derivatives, process for producing the same and liquid-crystalline composition containing said derivatives as liquid-crystalline compound and light switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-11-12 EP disclosed
US-5389293-A Light switches SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-02-14 US disclosed