SCHEMBL6561998

SCHEMBL6561998

CCc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)O[C@H](C)CC(CC)CC)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
MAPT P10636 7/20 0.44
THRB P10828 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RECQL P46063 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 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
SCHEMBL6547272 0.95 PDCD1 (0.44) TP53MAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL6562379 0.92 MAPT (0.52) TP53MAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL6564025 0.92 MAPT (0.52) TP53MAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL6549016 0.91 MAPT (0.47) MAPTALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL6561968 0.90 PRSS1 (0.44) MAPTTHRBSMN1; SMN2ALDH1A1PDCD1
SCHEMBL6563854 0.90 MAPT (0.47) TP53MAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL6560933 0.89 MAPT (0.52) MAPTTHRBSMN1; SMN2ALDH1A1TSHR
SCHEMBL6387977 0.87 HSD17B10 (0.50) MAPTSMN1; SMN2PDCD1CD274TSHR
SCHEMBL6563522 0.87 MAPT (0.51) MAPTTHRBSMN1; SMN2TSHRKMT2A
SCHEMBL6562110 0.87 KMT2A (0.42) TP53MAPTTHRBSMN1; SMN2ALDH1A1

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