SCHEMBL6562063

SCHEMBL6562063

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
LMNA P02545 5/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
NPC1 O15118 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
KMT2A Q03164 5/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.45
PLK1 P53350 1/20 0.45
MAPK1 P28482 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.44

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
SCHEMBL6563522 0.96 MAPT (0.51) TSHRMAPTSMN1; SMN2PRSS1ACR
SCHEMBL6549016 0.91 MAPT (0.47) TSHRMAPTPRSS1ACRLMNA
SCHEMBL6547272 0.87 PDCD1 (0.44) TSHRMAPTSMN1; SMN2PRSS1ACR
SCHEMBL6547911 0.85 MAPT (0.42) TSHRMAPTPRSS1ACRKMT2A
SCHEMBL10799094 0.84 LMNA (0.55) TSHRMAPTSMN1; SMN2PRSS1ACR
SCHEMBL9488678 0.84 TSHR (0.55) TSHRMAPTSMN1; SMN2PRSS1ACR
SCHEMBL6393368 0.83 TSHR (0.44) TSHRMAPTSMN1; SMN2LMNAKMT2A
SCHEMBL6393362 0.83 TSHR (0.44) TSHRMAPTSMN1; SMN2LMNAKMT2A
SCHEMBL6561968 0.82 PRSS1 (0.44) TSHRMAPTSMN1; SMN2PRSS1ACR
SCHEMBL6561998 0.82 TP53 (0.46) TSHRMAPTSMN1; SMN2PRSS1LMNA

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 3 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
EP-1225212-A1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-07-24 EP disclosed