SCHEMBL6560993

SCHEMBL6560993

CCCC(=O)Oc1ccc(-c2ccc(C(=O)O[C@H](C)CC(CC)CC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
RAB9A P51151 1/20 0.44
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
TSHR P16473 1/20 0.42
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ESR1 P03372 3/20 0.39
HIF1A Q16665 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 5/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
SLC22A2 O15244 1/20 0.37
TMPRSS2 O15393 1/20 0.37

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
SCHEMBL6562110 0.98 KMT2A (0.42) KMT2ARAB9ABCL9CTNNB1TSHR
SCHEMBL10422027 0.90 KMT2A (0.47) KMT2ARAB9ABCL9CTNNB1TSHR
SCHEMBL6547272 0.89 PDCD1 (0.44) KMT2ATSHRPDCD1CD274L3MBTL1
SCHEMBL10422504 0.86 KMT2A (0.46) KMT2ARAB9ABCL9CTNNB1TSHR
SCHEMBL6387977 0.86 HSD17B10 (0.50) KMT2ATSHRPDCD1CD274L3MBTL1
SCHEMBL6549016 0.84 MAPT (0.47) KMT2ATSHRESR1HIF1AL3MBTL1
SCHEMBL6561998 0.84 TP53 (0.46) KMT2ATSHRPDCD1CD274L3MBTL1
SCHEMBL6561968 0.84 PRSS1 (0.44) KMT2ATSHRPDCD1CD274L3MBTL1
SCHEMBL6564025 0.83 MAPT (0.52) KMT2ARAB9ATSHRPDCD1CD274
SCHEMBL6562379 0.83 MAPT (0.52) KMT2ARAB9ATSHRPDCD1CD274

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