SCHEMBL16601649

SCHEMBL16601649

COc1ccc(OCCN2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(CCOc2ccc(C(=O)O)cc2)C4=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.63
POLB P06746 2/20 0.56
APEX1 P27695 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 3/20 0.54
ATM Q13315 1/20 0.54
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HEXA P06865 3/20 0.50
HEXB P07686 3/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL16602031 0.85 ALDH1A1 (0.47) RAB9AALDH1A1NPC1HEXAHEXB
SCHEMBL16601616 0.74 HPGD (0.73) RAB9APOLBAPEX1HSD17B10TDP1
SCHEMBL7495574 0.74 RAB9A (0.70) RAB9APOLBAPEX1HSD17B10TDP1
SCHEMBL5984634 0.74 RAB9A (0.67) RAB9APOLBAPEX1HSD17B10TDP1
SCHEMBL12297895 0.72 HSD17B10 (1.00) RAB9APOLBAPEX1HSD17B10TDP1
P-Anisic Acid SCHEMBL1157044 0.72 CA1 (1.00) RAB9APOLBALDH1A1NPC1CA1
P-Anisic Acid SCHEMBL43335 0.72 CA1 (1.00) RAB9APOLBALDH1A1NPC1CA1
SCHEMBL21119070 0.71 ALDH1A1 (1.00) RAB9APOLBALDH1A1GAANPC1
SCHEMBL9550977 0.71 NPC1 (0.69) RAB9APOLBNPC1CA1CA2
SCHEMBL10050510 0.71 RAB9A (0.85) RAB9APOLBAPEX1HSD17B10TDP1

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed