SCHEMBL6561968

SCHEMBL6561968

CCC(CC)C[C@@H](C)OC(=O)c1ccc(-c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 1/20 0.39
POLB P06746 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
SCHEMBL6547272 0.95 PDCD1 (0.44) PRSS1ACRSMN1; SMN2L3MBTL1MAPT
SCHEMBL6549016 0.91 MAPT (0.47) PRSS1ACRNPC1L3MBTL1MAPT
SCHEMBL6561998 0.90 TP53 (0.46) PRSS1SMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL6387977 0.87 HSD17B10 (0.50) SMN1; SMN2L3MBTL1MAPTPDCD1CD274
SCHEMBL6562379 0.87 MAPT (0.52) PRSS1ACRNPC1SMN1; SMN2MAPT
SCHEMBL6563522 0.87 MAPT (0.51) PRSS1ACRNPC1SMN1; SMN2L3MBTL1
SCHEMBL6562110 0.87 KMT2A (0.42) PRSS1ACRSMN1; SMN2L3MBTL1MAPT
SCHEMBL6564025 0.87 MAPT (0.52) PRSS1ACRNPC1SMN1; SMN2MAPT
SCHEMBL6390324 0.86 TSHR (0.45) PRSS1ACRNPC1SMN1; SMN2MAPT
SCHEMBL6388175 0.86 TSHR (0.45) PRSS1ACRNPC1SMN1; SMN2MAPT

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