SCHEMBL5317036

SCHEMBL5317036

COC(=O)c1cc(NC(=O)CSc2ccccc2)ccc1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.63
TSHR P16473 1/20 0.63
HTT P42858 1/20 0.63
RAB9A P51151 5/20 0.61
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
POLB P06746 1/20 0.53
NPC1 O15118 4/20 0.52
LMNA P02545 2/20 0.51
PABPC1 P11940 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
Methoxymethane SCHEMBL5317037 0.91 HSD17B10 (0.63) HSD17B10TSHRHTTRAB9AKDM4E
SCHEMBL5321010 0.82 RAB9A (0.46) HSD17B10TSHRHTTRAB9AKDM4E
SCHEMBL5317042 0.79 MAPT (0.62) RAB9AKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL24074030 0.78 LMNA (0.49) RAB9AKDM4EL3MBTL1NPC1LMNA
SCHEMBL10334194 0.77 SMN1; SMN2 (0.60) HTTRAB9AKDM4ENPC1LMNA
SCHEMBL11315260 0.76 RAB9A (0.60) HSD17B10TSHRHTTRAB9AKDM4E
SCHEMBL5318926 0.75 MEN1 (0.55) HTTRAB9AKDM4ECYP1A2CYP3A4
SCHEMBL11929761 0.74 EPHX2 (0.57) RAB9AKDM4EL3MBTL1NPC1LMNA
SCHEMBL30032766 0.74 RAB9A (0.53) HSD17B10RAB9APOLBNPC1ALDH1A1
SCHEMBL23796682 0.74 RAB9A (0.53) HSD17B10RAB9APOLBNPC1ALDH1A1

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-2007119984-A1 SALICYLIC ACID DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THEM NEUROTECH CO., LTD. (KR) 2007-10-25 WO disclosed