SCHEMBL16601809

SCHEMBL16601809

O=COc1cccc(C2=CC(=C3C=CC(=O)C=C3)C=C(c3cccc(C(=O)O)c3)C2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.38
▸ MRGPRX4 Q96LA9 2/20 0.37
▸ ERN1 O75460 3/20 0.36
▸ RXRA P19793 2/20 0.36
▸ RXRB P28702 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NR4A2 P43354 1/20 0.34
▸ UNG P13051 1/20 0.34
▸ FOLH1 Q04609 1/20 0.34

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
SCHEMBL16602021 0.87 KMO (0.49) KMOERN1RXRARXRBLMNA
SCHEMBL14927359 0.80 KMO (0.58) KMOMRGPRX4ERN1RXRARXRB
SCHEMBL16601714 0.77 RXRA (0.46) KMOMRGPRX4ERN1RXRARXRB
SCHEMBL16601702 0.75 KMO (0.42) KMOMRGPRX4ERN1RXRARXRB
SCHEMBL6054726 0.74 AKR1C3 (0.61) KMOMRGPRX4PPARGAKR1C3KDM4E
SCHEMBL16601734 0.70 MAP4K4 (0.46) KMOMRGPRX4ERN1RXRARXRB
SCHEMBL17174082 0.69 KMO (0.44) KMOMRGPRX4ERN1RXRARXRB
SCHEMBL16601795 0.69 BACE1 (0.57) LMNAGAAALDH1A1
SCHEMBL17174087 0.68 KMO (0.42) KMOMRGPRX4ERN1LMNAGAA
Isophthalic Acid SCHEMBL11583584 0.66 TSHR (0.61) KMOAKR1C3TDP1L3MBTL1UNG

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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