SCHEMBL6563522

SCHEMBL6563522

CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)O[C@H](C)CC(CC)CC)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46
LMNA P02545 3/20 0.45
NPC1 O15118 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 4/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
THRB P10828 1/20 0.44
RARB P10826 3/20 0.42
ACACB O00763 2/20 0.42
ACACA Q13085 2/20 0.42

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
SCHEMBL6562063 0.96 TSHR (0.54) MAPTSMN1; SMN2TSHRPRSS1ACR
SCHEMBL6547272 0.92 PDCD1 (0.44) MAPTSMN1; SMN2TSHRPRSS1ACR
SCHEMBL6549016 0.88 MAPT (0.47) MAPTTSHRPRSS1ACRLMNA
SCHEMBL6561968 0.87 PRSS1 (0.44) MAPTSMN1; SMN2TSHRPRSS1ACR
SCHEMBL6561998 0.87 TP53 (0.46) MAPTSMN1; SMN2TSHRPRSS1LMNA
SCHEMBL6562379 0.86 MAPT (0.52) MAPTSMN1; SMN2TSHRPRSS1ACR
SCHEMBL6564025 0.86 MAPT (0.52) MAPTSMN1; SMN2TSHRPRSS1ACR
SCHEMBL6562110 0.86 KMT2A (0.42) MAPTSMN1; SMN2TSHRPRSS1ACR
SCHEMBL6390324 0.85 TSHR (0.45) MAPTSMN1; SMN2TSHRPRSS1ACR
SCHEMBL6388175 0.85 TSHR (0.45) MAPTSMN1; SMN2TSHRPRSS1ACR

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