SCHEMBL31085461

SCHEMBL31085461

O=C1NC(=O)c2c(SC3CCCCC3)cccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
BCL2 P10415 6/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MC4R P32245 1/20 0.41
KDM4E B2RXH2 5/20 0.40
MAPK10 P53779 1/20 0.40
CASP3 P42574 3/20 0.39
GSK3B P49841 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
NTSR1 P30989 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL110590 1.00 MAOA (0.57) MAOAMAOBBCL2ALDH1A1HPGD
SCHEMBL28114846 0.98 MAOA (0.56) MAOAMAOBBCL2ALDH1A1HPGD
Zinc Ion SCHEMBL8672070 0.97 MAOA (0.55) MAOAMAOBBCL2ALDH1A1HPGD
SCHEMBL27857314 0.85 MAOA (0.44) MAOAMAOBBCL2ALDH1A1HPGD
SCHEMBL11605019 0.81 MAOA (0.42) MAOAMAOBALDH1A1HPGDHSD17B10
SCHEMBL11601116 0.80 MAOA (0.40) MAOAMAOBALDH1A1HPGDHSD17B10
SCHEMBL11604133 0.77 KDM4E (0.38) MAOAMAOBALDH1A1HPGDHSD17B10
SCHEMBL11604541 0.76 CASP3 (0.40) MAOAMAOBALDH1A1HPGDHSD17B10
SCHEMBL7078965 0.76 GSK3B (0.50) MAOAMAOBALDH1A1HPGDHSD17B10
SCHEMBL30091416 0.76 GSK3B (0.50) MAOAMAOBALDH1A1HPGDHSD17B10

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-20240327624-A1 RUBBER COMPOSITION INCORPORATING A PREFORMED NATURAL RUBBER-CARBON BLACK COMPOSITE MATERIAL THE GOODYEAR TIRE & RUBBER COMPANY 2024-10-03 US disclosed