SCHEMBL8410309

SCHEMBL8410309

N=C(N)c1ccc(-c2ccc(CC(=O)Nc3cccc(CCC(=O)O)c3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.71
ITGA2B P08514 4/20 0.71
ITGB1 P05556 1/20 0.55
ITGA4 P13612 1/20 0.55
FFAR1 O14842 1/20 0.53
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP10 P09238 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
MMP14 P50281 1/20 0.48
CFD P00746 1/20 0.48
GFER P55789 1/20 0.47
PPARD Q03181 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
GAA P10253 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
SCHEMBL8885483 0.90 SELP (0.57) ITGB3ITGA2BKMT2AMEN1MMP2
SCHEMBL8410944 0.87 ITGB3 (0.93) ITGB3ITGA2BFFAR1PPARDNR1H4
Hydrochloric Acid SCHEMBL8720248 0.87 ITGB3 (0.54) ITGB3ITGA2BITGB1ITGA4KMT2A
SCHEMBL7864280 0.83 ITGB3 (0.62) ITGB3ITGA2BITGB1ITGA4FFAR1
Hydrochloric Acid SCHEMBL8410685 0.81 KMT2A (0.52) ITGB3ITGA2BKMT2AMEN1CFD
SCHEMBL9335733 0.79 ITGB3 (0.56) ITGB3ITGA2BKMT2AMEN1GAA
SCHEMBL7457414 0.78 ITGB3 (0.84) ITGB3ITGA2BITGB1PPARDNR1H4
SCHEMBL8408026 0.78 ITGB3 (0.72) ITGB3ITGA2BPPARDNR1H4
SCHEMBL9293507 0.78 ITGB3 (0.67) ITGB3ITGA2BKMT2AMEN1MAPT
SCHEMBL7383956 0.76 ITGB3 (0.65) ITGB3ITGA2BITGB1ITGA4GAA

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
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed