SCHEMBL6672157

SCHEMBL6672157

CC1CCCCC1(O)CCc1cc(CC2CCOCC2)cc2c(O)c(C(=O)NCc3ccc(Cl)cc3)nnc12

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
MAPK1 P28482 2/20 0.33
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
CCR2 P41597 1/20 0.31
TBXA2R P21731 2/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
POLA1 P09884 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL6672153 1.00 EPHX1 (0.33) EPHX1MAPK1THRBLMNAGAA
SCHEMBL6696310 0.84 POLA1 (0.36) EPHX1MAPK1THRBLMNAKMT2A
SCHEMBL6690714 0.83 LMNA (0.37) EPHX1MAPK1THRBLMNAGAA
SCHEMBL6668056 0.83 MAPK1 (0.39) MAPK1GAAKMT2AALDH1A1MAPT
SCHEMBL6695866 0.83 NPC1 (0.33) EPHX1MAPK1THRBLMNAGAA
SCHEMBL6670944 0.83 NPC1 (0.33) EPHX1MAPK1THRBLMNAGAA
SCHEMBL6670947 0.83 NPC1 (0.33) EPHX1MAPK1THRBLMNAGAA
SCHEMBL6672693 0.82 MAPK1 (0.38) MAPK1GAAKMT2AALDH1A1MAPT
SCHEMBL6671395 0.82 ALDH1A1 (0.44) MAPK1THRBLMNAKMT2AALDH1A1
SCHEMBL6667440 0.82 MAPK1 (0.35) MAPK1GAAKMT2AALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed