SCHEMBL16601734

SCHEMBL16601734

O=COc1cccc(-c2cnc3c(c2)C(=O)C(=O)c2cc(-c4cccc(C(=O)O)c4)cnc2-3)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.46
▸ MRGPRX4 Q96LA9 2/20 0.44
▸ AXL P30530 2/20 0.44
▸ NR4A2 P43354 1/20 0.42
▸ KMO O15229 2/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ NR1H4 Q96RI1 4/20 0.40
▸ DDT P30046 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ERN1 O75460 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ NEK1 Q96PY6 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
SCHEMBL16602016 0.87 MAP4K4 (0.56) MAP4K4AXLKMORXRARXRB
SCHEMBL16601714 0.84 RXRA (0.46) MRGPRX4NR4A2KMORXRARXRB
SCHEMBL14927359 0.83 KMO (0.58) MRGPRX4NR4A2KMORXRARXRB
SCHEMBL16601702 0.80 KMO (0.42) MRGPRX4KMORXRARXRBDDT
SCHEMBL6054726 0.74 AKR1C3 (0.61) MRGPRX4NR4A2KMO
SCHEMBL17174087 0.72 KMO (0.42) MRGPRX4KMOLMNAGAAERN1
SCHEMBL17174082 0.71 KMO (0.44) MRGPRX4KMORXRARXRBLMNA
SCHEMBL16601809 0.70 KMO (0.38) MRGPRX4NR4A2KMORXRARXRB
SCHEMBL1679150 0.70 CHEK2 (0.71) MAP4K4CHEK2NEK1
SCHEMBL12556925 0.69 NPC1 (0.50) MAP4K4AXLLMNACHEK2

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
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