SCHEMBL5879646

SCHEMBL5879646

CC(C)(C)OC(=O)CN1C(=O)c2ccccc2C(=CC(=O)O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 9/20 0.49
TRPA1 O75762 2/20 0.46
ALDH1A1 P00352 3/20 0.44
AGTR1 P30556 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5879642 1.00 CDC25A (0.49) CDC25ATRPA1ALDH1A1AGTR1KMT2A
SCHEMBL5879644 1.00 CDC25A (0.49) CDC25ATRPA1ALDH1A1AGTR1KMT2A
SCHEMBL24714971 0.81 ALDH1A1 (0.60) ALDH1A1KMT2APOLBNPSR1
SCHEMBL7091522 0.80 ALDH1A1 (0.67) ALDH1A1AGTR1KMT2APOLB
SCHEMBL12930309 0.74 CDC25A (0.63) CDC25ATRPA1ALDH1A1
SCHEMBL5879576 0.73 ITGB3 (0.54) CDC25A
SCHEMBL11327841 0.70 HPGD (0.58) ALDH1A1KMT2APOLB
SCHEMBL19020194 0.70 CDC25A (0.49) CDC25AKMT2A
SCHEMBL19020193 0.70 CDC25A (0.49) CDC25AKMT2A
SCHEMBL12930290 0.69 TRPA1 (0.69) CDC25ATRPA1ALDH1A1

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