SCHEMBL3343330

SCHEMBL3343330

CCOC(=O)Cc1c(C)[nH]c2c1CCC2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
BRD4 O60885 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NLRP3 Q96P20 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 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
SCHEMBL3344033 0.95 LMNA (0.47) LMNABRD4KMT2AMEN1NPC1
SCHEMBL371180 0.80 MAPK1 (0.37) LMNAKMT2AKDM4EMAPK1POLB
SCHEMBL9110061 0.71 ALOX15 (0.38) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL6297621 0.71 LMNA (0.49) LMNABRD4KMT2AMEN1NPC1
SCHEMBL25664507 0.70 GAA (0.57) LMNAKMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL6696149 0.70 LMNA (0.48) LMNABRD4KMT2AMEN1NPC1
SCHEMBL2075491 0.68 LMNA (0.63) LMNABRD4KMT2AMEN1NPC1
SCHEMBL5398985 0.67 MAPK1 (0.64) LMNAKMT2AMEN1RAB9AMAPK1
SCHEMBL4561364 0.67 CYP1A2 (0.68) LMNAKMT2AMEN1KDM4EMAPK1
SCHEMBL8579730 0.66 KMT2A (0.49) LMNAKMT2AKDM4EMAPK1SMN1; SMN2

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