SCHEMBL4361986

SCHEMBL4361986

Oc1ccc2c(SSc3ccc[nH]c3=S)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ESR1 P03372 6/20 0.37
ESR2 Q92731 6/20 0.37
TLR8 Q9NR97 1/20 0.34
GAA P10253 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
USP2 O75604 1/20 0.33
RAD51 Q06609 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL4358167 0.83 ESR1 (0.47) ESR1ESR2TLR8ALOX15HSD17B1
SCHEMBL3782742 0.76 HDAC8 (0.50) HDAC8HDAC6GAANPSR1MEN1
SCHEMBL2893593 0.72 ESR1 (0.47) ESR1ESR2TLR8ALOX15HSD17B1
SCHEMBL4358162 0.70 ESR1 (0.45) ESR1ESR2TLR8ALOX15HSD17B1
SCHEMBL8463060 0.69 MCL1 (0.52) ESR1ESR2ALOX15HSD17B1HSD17B2
SCHEMBL26856146 0.66 ESR1 (0.42) ESR1ESR2TLR8HSD17B1HSD17B2
SCHEMBL31435109 0.66 HSD17B1 (0.42) ESR1ESR2TLR8HSD17B1HSD17B2
SCHEMBL7232768 0.63 CYP1A2 (0.48) ESR1ESR2TLR8HSD17B1HSD17B2
SCHEMBL30118117 0.63 CYP1A2 (0.48) ESR1ESR2TLR8HSD17B1HSD17B2
SCHEMBL15451 0.63 HSD17B1 (0.70) ESR1ESR2TLR8HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619121-B2 Method for isolating a thiol UNIVERSITY OF CAPE TOWN (ZA) 2009-11-17 US claimed
US-20070232836-A1 Method for Isolating a Thiol UNIVERSITY OF CAPE TOWN (ZA) 2007-10-04 US claimed
WO-2005021493-A2 A METHOD OF ISOLATING A THIOL UNIVERSITY OF CAPE TOWN (ZA) 2005-03-10 WO claimed
US-7619121-B2 Method for isolating a thiol UNIVERSITY OF CAPE TOWN (ZA) 2009-11-17 US disclosed
US-20070232836-A1 Method for Isolating a Thiol UNIVERSITY OF CAPE TOWN (ZA) 2007-10-04 US disclosed
WO-2005021493-A2 A METHOD OF ISOLATING A THIOL UNIVERSITY OF CAPE TOWN (ZA) 2005-03-10 WO disclosed