SCHEMBL27446973

SCHEMBL27446973

O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(F)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBASH3B Q8TF42 1/20 0.80
▸ ITGB2 P05107 8/20 0.61
▸ ICAM1 P05362 8/20 0.61
▸ ITGAL P20701 8/20 0.61
▸ ERAP2 Q6P179 1/20 0.54
▸ PIN1 Q13526 2/20 0.50
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46

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
SCHEMBL9294032 0.92 UBASH3B (0.85) UBASH3BITGB2ICAM1ITGALERAP2
SCHEMBL9293799 0.90 UBASH3B (0.82) UBASH3BITGB2ICAM1ITGALERAP2
Rebamipide SCHEMBL23346201 0.89 UBASH3B (1.00) UBASH3BITGB2ICAM1ITGALERAP2
Rebamipide SCHEMBL21623658 0.89 UBASH3B (1.00) UBASH3BITGB2ICAM1ITGALERAP2
SCHEMBL9293895 0.89 UBASH3B (0.80) UBASH3BITGB2ICAM1ITGALERAP2
Rebamipide SCHEMBL29560992 0.89 UBASH3B (1.00) UBASH3BITGB2ICAM1ITGALERAP2
Rebamipide SCHEMBL221527 0.89 UBASH3B (1.00) UBASH3BITGB2ICAM1ITGALERAP2
Rebamipide SCHEMBL5794018 0.89 UBASH3B (1.00) UBASH3BITGB2ICAM1ITGALERAP2
SCHEMBL10840354 0.89 UBASH3B (0.80) UBASH3BITGB2ICAM1ITGALERAP2
Rebamipide SCHEMBL9114879 0.88 UBASH3B (0.98) UBASH3BITGB2ICAM1ITGALERAP2

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
CN-1073418-C Interleukin-8 production inhibitor 大塚制药株式会社 2001-10-24 — — CN disclosed
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