SCHEMBL6563555

SCHEMBL6563555

CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C(=O)O[C@H](C)CC(CC)CC)c(F)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 1/20 0.37
IDO1 P14902 1/20 0.32
LSS P48449 2/20 0.32
PRSS1 P07477 1/20 0.31
TMPRSS15 P98073 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CRBN Q96SW2 1/20 0.31
SCN9A Q15858 1/20 0.31
PARP10 Q53GL7 2/20 0.31
PARP15 Q460N3 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL6563876 0.88 CYP2C9 (0.50) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL6547169 0.85 ALDH1A1 (0.40) ALDH1A1MAPTKMT2APRSS1TMPRSS15
SCHEMBL6547930 0.81 MAPT (0.37) ALDH1A1MAPTKMT2APRSS1TMPRSS15
SCHEMBL8052087 0.81 CYP2C9 (0.55) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL6563557 0.80 CYP2C9 (0.36) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL7910632 0.80 CYP2C9 (0.49) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL5886341 0.80 CYP2C9 (0.49) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL20152471 0.80 CYP2C9 (0.49) CYP2C9ALDH1A1MAPTLMNAKMT2A
SCHEMBL6563804 0.80 KMT2A (0.37) CYP2C9ALDH1A1MAPTKMT2AMEN1
SCHEMBL15693580 0.79 CYP2C9 (0.53) 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