SCHEMBL9253587

SCHEMBL9253587

CC[C@H](C)CCCOCc1ccc(C(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP4A11 Q02928 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
CYP4F2 P78329 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 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
SCHEMBL9263045 0.86 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16523044 0.83 CYP4A11 (0.62) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9262378 0.83 NPC1 (0.56) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9146884 0.82 MAPT (0.66) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9146871 0.82 MAPT (0.66) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14660779 0.80 MGLL (0.51) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10865547 0.80 MGLL (0.51) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL20963807 0.80 CYP4A11 (0.66) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7218133 0.79 LOXL2 (0.56) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9235880 0.78 CYP4A11 (0.56) MAPTSMN1; SMN2NPC1RAB9AMEN1

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