SCHEMBL3720126

SCHEMBL3720126

CCNc1ccc2nc(Oc3ccc(OC(C)C)cc3OC)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.39
MAPT P10636 5/20 0.38
P2RX3 P56373 1/20 0.36
PGK1 P00558 2/20 0.36
FPR2 P25090 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.35
CSF1R P07333 1/20 0.35
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
MCHR1 Q99705 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
NPC1 O15118 1/20 0.34
NQO2 P16083 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3718483 0.89 MAPT (0.38) CRHR1MAPTP2RX3PGK1ALDH1A1
SCHEMBL3720739 0.88 MAPT (0.39) CRHR1MAPTP2RX3ALDH1A1GAA
SCHEMBL3719833 0.87 P2RX3 (0.39) CRHR1MAPTP2RX3ALDH1A1GAA
SCHEMBL3720773 0.87 P2RX3 (0.41) MAPTP2RX3PGK1GAAHPGD
SCHEMBL3726852 0.85 P2RX3 (0.43) MAPTP2RX3ALDH1A1GAAPDE3B
SCHEMBL3719378 0.85 MAPT (0.39) MAPTP2RX3KDM4EGAAHPGD
SCHEMBL3718569 0.84 MAPT (0.37) MAPTP2RX3PGK1
SCHEMBL3717014 0.82 MAPT (0.34) MAPTP2RX3ALDH1A1GAAMAPK1
SCHEMBL3720742 0.82 MAPT (0.37) MAPTP2RX3TP53
SCHEMBL3719557 0.81 MAPT (0.42) MAPTP2RX3

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed