SCHEMBL6563854

SCHEMBL6563854

CCCCc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)O[C@H](C)CC(CC)CC)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RARB P10826 6/20 0.47
THRB P10828 4/20 0.45
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RARA P10276 1/20 0.42
MTOR P42345 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TP53 P04637 1/20 0.39
THRA P10827 1/20 0.39
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL6560933 0.97 MAPT (0.52) MAPTSMN1; SMN2RARBTHRBTSHR
SCHEMBL6562379 0.93 MAPT (0.52) MAPTSMN1; SMN2RARBTHRBTSHR
SCHEMBL6564025 0.93 MAPT (0.52) MAPTSMN1; SMN2RARBTHRBTSHR
SCHEMBL6561998 0.90 TP53 (0.46) MAPTSMN1; SMN2THRBTSHRALDH1A1
SCHEMBL6547272 0.89 PDCD1 (0.44) MAPTSMN1; SMN2THRBTSHRALDH1A1
SCHEMBL6390324 0.88 TSHR (0.45) MAPTSMN1; SMN2RARBTHRBTSHR
SCHEMBL6388175 0.88 TSHR (0.45) MAPTSMN1; SMN2RARBTHRBTSHR
SCHEMBL6562073 0.86 CYP4F2 (0.48) MAPTSMN1; SMN2RARBTHRBTSHR
SCHEMBL6549016 0.86 MAPT (0.47) MAPTTSHRALDH1A1KMT2APRSS1
SCHEMBL6561968 0.85 PRSS1 (0.44) MAPTSMN1; SMN2THRBTSHRMEN1

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