SCHEMBL6852138

SCHEMBL6852138

O=Cc1cccc(Sc2cccc(C=O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
UNG P13051 1/20 0.47
CYP2A6 P11509 2/20 0.46
SRC P12931 1/20 0.41
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL31618073 0.94 ALDH1A1 (0.52) ALDH1A1UNGCYP2A6SRCTRIM24
SCHEMBL1681164 0.94 ALDH1A1 (0.52) ALDH1A1UNGCYP2A6SRCTRIM24
SCHEMBL6848984 0.92 ALDH1A1 (0.47) ALDH1A1UNGCYP2A6SRCTRIM24
SCHEMBL29572439 0.87 MAOA (0.46) ALDH1A1UNGCYP2A6SRCMAOA
SCHEMBL3966352 0.87 MAOA (0.46) ALDH1A1UNGCYP2A6SRCMAOA
SCHEMBL2541321 0.87 CYP2A6 (0.47) ALDH1A1UNGCYP2A6MAOAMAOB
SCHEMBL5321387 0.87 HSD17B10 (0.47) ALDH1A1UNGMAOAMAOBHDAC3
SCHEMBL4800339 0.84 NPC1 (0.50) ALDH1A1CYP2A6SRCRAB9A
SCHEMBL2244675 0.82 ALDH1A1 (0.38) ALDH1A1UNGMAOBHDAC3HDAC4
SCHEMBL6255853 0.82 NPC1 (0.52) ALDH1A1CYP2A6MAOBHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780561-B2 FOR FORMING PROTECTIVE FILM OR AN INSULATING FILM FOR A SEMICONDUCTOR ELEMENT OR A CIRCUIT BOARD SUCH AS A PRINTED BOARD KANSAI PAINT CO., LTD. (JP) 2004-08-24 US disclosed
US-20030143480-A1 For forming protective film or an insulating film for a semiconductor element or a circuit board such as a printed board KANSAI PAINT CO., LTD. (JP) 2003-07-31 US disclosed