SCHEMBL9019336

SCHEMBL9019336

CCC(=O)c1c(OC)cc(OC)cc1C(=O)Oc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 5/20 0.46
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAOA P21397 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4844145 0.77 CYP3A4 (0.46) SMN1; SMN2KMT2AKDM4EUSP2CYP3A4
SCHEMBL8546247 0.76 CYP3A4 (0.55) SMN1; SMN2KMT2AUSP2CYP3A4CYP2D6
SCHEMBL1500114 0.75 CYP3A4 (0.47) NPC1RAB9ASMN1; SMN2KMT2AUSP2
SCHEMBL6560050 0.73 KMT2A (0.50) KMT2AMAPTTP53KDM4EUSP2
SCHEMBL9905988 0.70 KMT2A (0.68) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL13186069 0.70 KMT2A (0.55) NPC1SMN1; SMN2KMT2AUSP2CYP3A4
SCHEMBL28320490 0.70 CYP3A4 (0.49) SMN1; SMN2KMT2AUSP2CYP3A4CYP2D6
SCHEMBL30506419 0.70 CYP3A4 (0.67) SMN1; SMN2KMT2AMAPTMEN1TP53
SCHEMBL2874467 0.70 CYP3A4 (0.67) SMN1; SMN2KMT2AMAPTMEN1TP53
SCHEMBL9559998 0.69 CYP3A4 (0.47) SMN1; SMN2KMT2AMAPTMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450588-B1 Substituted 3-thia- or 3-oxa-alkyl flavones, process for their preparation, their application and drugs based on these compounds as well as intermediates HOECHST AG (DE) 1996-02-28 EP disclosed
US-5173498-A For treating arteriosclerosis or hypercholesterolemia HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-22 US disclosed
EP-0450588-A1 Substituted 3-thia- or 3-oxa-alkyl flavones, process for their preparation, their application and drugs based on these compounds as well as intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-09 EP disclosed