SCHEMBL5879901

SCHEMBL5879901

CC(=O)OC1c2ccccc2C(=O)N(CC(=O)NCCc2ccc(-c3nc4ccccc4[nH]3)cc2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.73
ITGAV P06756 17/20 0.73
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 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
SCHEMBL5879791 0.84 ITGB3 (0.74) ITGB3ITGAV
SCHEMBL5879517 0.82 ITGB3 (0.72) ITGB3ITGAV
SCHEMBL5879795 0.81 ITGB3 (0.73) ITGB3ITGAVALDH1A1
SCHEMBL5879582 0.81 ITGB3 (0.74) ITGB3ITGAV
SCHEMBL5879538 0.80 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL5879571 0.79 ITGB3 (0.53) ITGB3ITGAV
SCHEMBL5879555 0.77 ITGB3 (0.64) ITGB3ITGAVALDH1A1
Hydrochloric Acid SCHEMBL5879699 0.76 ITGB3 (0.98) ITGB3ITGAV
SCHEMBL6426207 0.75 ITGB3 (0.71) ITGB3ITGAV
SCHEMBL5879540 0.74 ITGB3 (0.63) ITGB3ITGAVALDH1A1

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