SCHEMBL6670947

SCHEMBL6670947

CC1CCCCC1(O)C#Cc1cc(CC2CCOCC2)cc2c(O)c(C(=O)NCc3ccc(Cl)cc3)nnc12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 2/20 0.32
GAA P10253 2/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
POLA1 P09884 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EPHX1 P07099 1/20 0.31
CCR2 P41597 1/20 0.30
KCNH2 Q12809 1/20 0.30
CNR2 P34972 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
SCHEMBL6670944 1.00 NPC1 (0.33) NPC1RAB9AMAPK1GAATHRB
SCHEMBL6695866 1.00 NPC1 (0.33) NPC1RAB9AMAPK1GAATHRB
SCHEMBL6691688 0.84 POLA1 (0.36) RAB9ATHRBLMNAKMT2AMAPT
SCHEMBL6691685 0.84 POLA1 (0.36) RAB9ATHRBLMNAKMT2AMAPT
SCHEMBL6669028 0.84 MAPK1 (0.39) MAPK1GAAALDH1A1KMT2AMAPT
SCHEMBL6690714 0.83 LMNA (0.37) NPC1RAB9AMAPK1GAATHRB
SCHEMBL6672153 0.83 EPHX1 (0.33) NPC1RAB9AMAPK1GAATHRB
SCHEMBL6672157 0.83 EPHX1 (0.33) NPC1RAB9AMAPK1GAATHRB
SCHEMBL6667328 0.83 MAPK1 (0.37) MAPK1GAALMNAALDH1A1KMT2A
SCHEMBL6669484 0.82 MAPK1 (0.36) MAPK1GAAKMT2APOLA1EGLN1

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