SCHEMBL7196791

SCHEMBL7196791

CSc1ccc(C(=O)CCCCCCCC(=O)c2ccc(SC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HSD17B3 P37058 7/20 0.55
HAO1 Q9UJM8 1/20 0.53
HDAC8 Q9BY41 4/20 0.50
HDAC1 Q13547 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
PLK1 P53350 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL13864138 0.93 HSD17B3 (0.67) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL8536860 0.93 HSD17B3 (0.49) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL11656990 0.89 HAO1 (0.47) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL16401383 0.89 HAO1 (0.47) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL7365891 0.87 HAO1 (0.49) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL11657015 0.86 PLK1 (0.46) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL11658128 0.85 HAO1 (0.44) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL6755453 0.84 HSD17B3 (0.62) L3MBTL1LMNAMAPTHSD17B3HAO1
SCHEMBL16401512 0.84 HAO1 (0.50) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL7575160 0.82 NR4A2 (0.59) L3MBTL1LMNAMAPTTDP1HAO1

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
US-6596445-B1 Initiators for photopolymerization of radically polymerizable compounds CIBA SPECIALTY CHEMICALS CORPORATION 2003-07-22 US disclosed