SCHEMBL21065294

SCHEMBL21065294

Cc1cc(=O)nc(NC(=O)NC(CCC(=O)O)C(=O)O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 7/20 0.47
▸ FOLH1 Q04609 5/20 0.47
▸ RIMKLA Q8IXN7 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MTHFD1 P11586 1/20 0.40
▸ MTHFD2 P13995 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ TYMS P04818 1/20 0.40

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
SCHEMBL12462485 1.00 NAALAD2 (0.47) NAALAD2FOLH1RIMKLAKDM4EHPGD
SCHEMBL12462479 0.91 JAK2 (0.41) NAALAD2FOLH1RIMKLAMTHFD1MTHFD2
SCHEMBL12374474 0.90 ABL1 (0.37) FOLH1FPR2
SCHEMBL12462486 0.85 FOLH1 (0.45) FOLH1
SCHEMBL12374471 0.84 FOLH1 (0.46) FOLH1
SCHEMBL23255654 0.79 ITGB3 (0.45) KDM4E
SCHEMBL13051269 0.78 GAA (0.38) KDM4EHPGD
SCHEMBL21065266 0.78 TDP1 (0.43) KDM4E
SCHEMBL21065264 0.78 TDP1 (0.43) KDM4E
SCHEMBL21122927 0.77 P2RY12 (0.35) KDM4EHPGD

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
EP-2521530-B1 COSMETIC COMPOSITION, COSMETIC TREATMENT METHOD, KIT, AND COMPOUND OREAL (FR) 2019-06-26 — — EP disclosed
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