SCHEMBL5879574

SCHEMBL5879574

COC(=O)CN1c2ccccc2C(=O)N(CC(=O)O)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
CA12 O43570 1/20 0.59
CA9 Q16790 1/20 0.59
ALDH1A1 P00352 4/20 0.51
AGTR1 P30556 1/20 0.51
KMT2A Q03164 3/20 0.50
MAPT P10636 1/20 0.50
PTGES O14684 1/20 0.47
APEX1 P27695 1/20 0.47
EDNRA P25101 3/20 0.47
MEN1 O00255 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
SCHEMBL524126 0.83 ALDH1A1 (0.67) POLBCA12CA9ALDH1A1KMT2A
SCHEMBL27703398 0.82 ALDH1A1 (0.72) POLBALDH1A1AGTR1KMT2AMAPT
SCHEMBL1444562 0.77 POLB (0.54) POLBALDH1A1AGTR1KMT2AMEN1
SCHEMBL1444561 0.77 POLB (0.54) POLBALDH1A1AGTR1KMT2AMEN1
SCHEMBL5879566 0.77 ITGB3 (0.54) POLBCA12CA9
SCHEMBL30788174 0.77 POLB (0.60) POLBALDH1A1AGTR1KMT2AMAPT
SCHEMBL522649 0.77 CA12 (1.00) CA12CA9ALDH1A1KMT2AMAPT
SCHEMBL29744481 0.77 CA12 (1.00) CA12CA9ALDH1A1KMT2AMAPT
SCHEMBL20864615 0.76 POLB (1.00) POLBALDH1A1MAPT
SCHEMBL3012558 0.76 CES1 (0.65) POLBCA12CA9ALDH1A1AGTR1

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed