SCHEMBL11032619

SCHEMBL11032619

N#CCCC(NC(=O)c1ccccc1)(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.41
GUSB P08236 2/20 0.39
HDAC3 O15379 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
IDO1 P14902 1/20 0.39
ALOX15 P16050 1/20 0.39
HDAC1 Q13547 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CTSL P07711 7/20 0.39
CTSK P43235 4/20 0.39
CTSS P25774 2/20 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
SCHEMBL10936328 0.87 ALDH1A1 (0.46) POLBALDH1A1CYP1A2
SCHEMBL6743871 0.74 NPC1 (0.56) POLBALDH1A1HDAC1CYP2C9SMN1; SMN2
Water SCHEMBL10936250 0.73 ALDH1A1 (0.43) POLBALDH1A1CA1CYP1A2
SCHEMBL22047370 0.71 MLYCD (0.46) ALDH1A1GUSBALOX15HSD17B10SMN1; SMN2
SCHEMBL11620954 0.71 MLYCD (0.46) POLBALDH1A1GUSBALOX15HSD17B10
SCHEMBL3455667 0.71 GAA (0.57) POLBGAAGUSBHDAC3HDAC1
SCHEMBL11245491 0.70 MLYCD (0.44) ALDH1A1GUSBALOX15HSD17B10SMN1; SMN2
SCHEMBL10936648 0.70 OGG1 (0.41) POLBALDH1A1HDAC3HDAC1HDAC2
SCHEMBL10939773 0.70 FOLH1 (0.37) POLBGUSBCTSL
SCHEMBL10940237 0.70 ALDH1A1 (0.43) POLBALDH1A1CTSBSMN1; SMN2CYP1A2

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-4545942-A IMMUNOREGULATORS; ANTITUMOR AGENTS SANKYO COMPANY, LIMITED (JP) 1985-10-08 US disclosed