SCHEMBL3344033

SCHEMBL3344033

CCOC(=O)Cc1c(C)[nH]c2c1CCCCC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3343330 0.95 LMNA (0.45) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL371180 0.79 MAPK1 (0.37) LMNAKMT2AKDM4EPOLBMAPK1
SCHEMBL6696149 0.74 LMNA (0.48) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL9110061 0.73 ALOX15 (0.38) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL6297621 0.72 LMNA (0.49) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL5401319 0.70 MGAM (0.44) LMNAKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL7956193 0.70 LMNA (0.56) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL25664507 0.69 GAA (0.57) LMNAKMT2AKDM4EMAPK1ALDH1A1
SCHEMBL11066828 0.68 MGAM (0.46) LMNAKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL7823939 0.68 LMNA (0.57) LMNAKMT2AMEN1NPC1RAB9A

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-2010039982-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed