SCHEMBL366114

SCHEMBL366114

COc1cc(OC(=O)N2CCOCC2)cn2c1c(C(=O)O)c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX1 P07099 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 3/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL367237 0.91 TSHR (0.49) TSHRL3MBTL1EPHX1HSD17B10NPC1
SCHEMBL367409 0.87 EPHX1 (0.48) TSHREPHX1HSD17B10NPC1RAB9A
SCHEMBL365668 0.80 KMT2A (0.55) TSHREPHX1HSD17B10NPC1RAB9A
SCHEMBL367734 0.79 ATM (0.40) TSHRL3MBTL1NPC1RAB9AKMT2A
SCHEMBL365264 0.78 EPHX1 (0.45) TSHRL3MBTL1EPHX1HSD17B10NPC1
SCHEMBL366113 0.77 EPHX1 (0.49) TSHRL3MBTL1EPHX1HSD17B10NPC1
SCHEMBL365226 0.76 ATM (0.37) L3MBTL1KMT2AKDM4ETP53NPSR1
SCHEMBL366020 0.76 STS (0.41) L3MBTL1KMT2AKDM4ENPSR1MEN1
SCHEMBL366077 0.75 ATM (0.45) L3MBTL1KMT2ASMN1; SMN2KDM4ENPSR1
SCHEMBL365176 0.75 ATM (0.45) L3MBTL1KMT2AKDM4ENPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed