SCHEMBL9539690

SCHEMBL9539690

CCOS(=O)(=O)c1ccc(C)cc1-c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 3/20 0.42
F2 P00734 2/20 0.42
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALPL P05186 2/20 0.40
HTT P42858 2/20 0.39
XBP1 P17861 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR7 P34969 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL3649899 0.81 MCOLN3 (0.50) L3MBTL1MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL10618531 0.80 SMN1; SMN2 (0.38) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL23174837 0.77 KAT6A (0.38) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL8713487 0.76 HTR6 (0.53) KDM4EALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL21815478 0.75 MEN1 (0.47) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL9948959 0.75 HTR6 (0.51) KDM4EALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL28514735 0.73 MRGPRX4 (0.45) KDM4EL3MBTL1MAPTALDH1A1HPGD
SCHEMBL8729004 0.73 KDM4E (0.39) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL27559786 0.73 ALDH1A1 (0.42) RAB9AKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL11782542 0.73 ALDH1A1 (0.49) KDM4EL3MBTL1MAPTALDH1A1F2

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-1993004686-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-18 WO disclosed