SCHEMBL16601999

SCHEMBL16601999

O=C(O)c1cccc(-c2ccc3c4c(ccc(-c5cccc(C(=O)O)c5)c24)C(=O)C3=O)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.56
▸ PTPRC P08575 2/20 0.51
▸ FOLH1 Q04609 3/20 0.51
▸ RXRA P19793 2/20 0.50
▸ RXRB P28702 2/20 0.50
▸ AKR1C3 P42330 2/20 0.49
▸ AKR1C2 P52895 2/20 0.49
▸ DDT P30046 1/20 0.49
▸ TTR P02766 1/20 0.49
▸ PTGER1 P34995 1/20 0.48
▸ TDP2 O95551 1/20 0.48
▸ KEAP1 Q14145 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
SCHEMBL16601702 0.85 KMO (0.42) KMOPTPRCFOLH1RXRARXRB
SCHEMBL16602023 0.82 KMO (0.61) KMOPTPRCRXRARXRBAKR1C3
SCHEMBL29386545 0.81 KMO (0.69) KMOFOLH1RXRARXRBAKR1C3
SCHEMBL16749639 0.81 KMO (0.69) KMOFOLH1RXRARXRBAKR1C3
SCHEMBL30259065 0.79 KMO (0.73) KMOFOLH1RXRARXRBDDT
SCHEMBL2213546 0.79 KMO (0.73) KMOFOLH1RXRARXRBDDT
SCHEMBL15764214 0.78 PTPRC (0.70) KMOPTPRCRXRARXRBTTR
SCHEMBL71238 0.78 KMO (0.86) KMORXRARXRBKEAP1
SCHEMBL30725957 0.78 KMO (0.86) KMORXRARXRBKEAP1
SCHEMBL29904709 0.78 KMO (0.86) KMORXRARXRBKEAP1

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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