SCHEMBL11068682

SCHEMBL11068682

C=CCNc1cccc(C(Br)C(Br)C(=O)OCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB3 P13945 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MTNR1B P49286 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HPGD P15428 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MMP8 P22894 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL11299108 0.85 CA12 (0.39) ALDH1A1MAPTNPSR1CA12CA1
SCHEMBL11324363 0.80 MAPT (0.36) ALDH1A1MAPTCA12CA1CA2
SCHEMBL11299103 0.77 NLRP3 (0.39) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL31198124 0.76 ALDH1A1 (0.41) ALDH1A1MAPTCA12CA1CA2
SCHEMBL31198087 0.76 MMP8 (0.44) ALDH1A1MAPTHPGDLMNAKDM4E
SCHEMBL31198092 0.76 ALDH1A1 (0.41) ALDH1A1MAPTCA12CA1CA2
SCHEMBL31198118 0.76 MMP8 (0.44) ALDH1A1MAPTHPGDLMNAKDM4E
SCHEMBL11155678 0.75 KMT2A (0.56) ALDH1A1MAPTNPSR1CA12CA1
SCHEMBL31198051 0.74 L3MBTL1 (0.52) ALDH1A1MTNR1BTDP1L3MBTL1KDM4E
SCHEMBL31198089 0.74 MEN1 (0.44) MAPTTDP1LMNAKDM4EMMP8

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-4440940-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-04-03 US disclosed