SCHEMBL9294032

SCHEMBL9294032

O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UBASH3B Q8TF42 1/20 0.85
ITGB2 P05107 6/20 0.57
ICAM1 P05362 6/20 0.57
ITGAL P20701 6/20 0.57
ERAP2 Q6P179 1/20 0.56
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
CTSL P07711 1/20 0.50
TACR1 P25103 4/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL9293799 0.93 UBASH3B (0.82) UBASH3BITGB2ICAM1ITGALERAP2
Rebamipide SCHEMBL5794018 0.92 UBASH3B (1.00) UBASH3BITGB2ICAM1ITGALERAP2
SCHEMBL27446973 0.92 UBASH3B (0.80) UBASH3BITGB2ICAM1ITGALERAP2
SCHEMBL9293895 0.92 UBASH3B (0.80) UBASH3BITGB2ICAM1ITGALERAP2
Rebamipide SCHEMBL29560992 0.92 UBASH3B (1.00) UBASH3BITGB2ICAM1ITGALERAP2
Rebamipide SCHEMBL23346201 0.92 UBASH3B (1.00) UBASH3BITGB2ICAM1ITGALERAP2
SCHEMBL10840354 0.92 UBASH3B (0.80) UBASH3BITGB2ICAM1ITGALERAP2
Rebamipide SCHEMBL221527 0.92 UBASH3B (1.00) UBASH3BITGB2ICAM1ITGALERAP2
Rebamipide SCHEMBL21623658 0.92 UBASH3B (1.00) UBASH3BITGB2ICAM1ITGALERAP2
Rebamipide SCHEMBL9114879 0.91 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017037566-A1 COMPOUND, COMPOSITION AND USES THEREOF RAO M SURYA (IN) 2017-03-09 WO disclosed
US-RE34722-E Antiulcer agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 US disclosed