SCHEMBL6562073

SCHEMBL6562073

CCCc1ccc(-c2ccc(C(=O)O[C@H](C)CC(CC)CC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
RARB P10826 6/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 3/20 0.41
PLK1 P53350 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
RARA P10276 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MCL1 Q07820 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
SCHEMBL6564025 0.93 MAPT (0.52) CYP4F2CYP4A11PDCD1CD274TAS1R3
SCHEMBL6562379 0.93 MAPT (0.52) CYP4F2CYP4A11PDCD1CD274TAS1R3
SCHEMBL569347 0.87 CYP4A11 (0.57) CYP4F2CYP4A11TAS1R3TAS1R1MAPT
SCHEMBL6563854 0.86 MAPT (0.47) CYP4F2CYP4A11RARBMAPTTHRB
SCHEMBL6560933 0.85 MAPT (0.52) RARBMAPTTHRBALDH1A1MEN1
SCHEMBL6564029 0.85 NPC1 (0.41) CYP4F2CYP4A11RARBMAPTALDH1A1
SCHEMBL6394341 0.85 CA12 (0.54) PDCD1CD274ALDH1A1MEN1KMT2A
SCHEMBL17699357 0.83 CYP4A11 (0.50) CYP4F2CYP4A11TAS1R3TAS1R1MAPT
SCHEMBL6561998 0.83 TP53 (0.46) CYP4F2CYP4A11PDCD1CD274MAPT
SCHEMBL16555855 0.83 CYP4A11 (0.53) CYP4F2CYP4A11TAS1R3TAS1R1MAPT

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-1225212-B1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL CO (JP) 2004-03-24 EP disclosed
US-6677475-B2 FOR USE IN LIQUID CRYSTAL DISPLAY DEVICE MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-01-13 US disclosed
US-20020146517-A1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. 2002-10-10 US disclosed
EP-1225212-A1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-07-24 EP disclosed