SCHEMBL6563876

SCHEMBL6563876

CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C(=O)O[C@H](C)CC(CC)CC)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
DGAT1 O75907 1/20 0.33
PRSS1 P07477 1/20 0.32
ACR P10323 1/20 0.32
CACNA1G O43497 1/20 0.32

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
SCHEMBL6563555 0.88 CYP2C9 (0.43) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL10938649 0.86 CYP2C9 (0.66) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL10898816 0.86 CYP2C9 (0.66) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL6562311 0.83 ELANE (0.39) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL9855071 0.83 CYP2C9 (0.56) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL11417402 0.82 CYP2C9 (0.59) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL9711884 0.82 CYP2C9 (0.53) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL9711889 0.82 CYP2C9 (0.53) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL6549016 0.82 MAPT (0.47) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL11406369 0.81 CYP2C9 (0.60) CYP2C9ALDH1A1MAPTLMNAKMT2A

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