SCHEMBL8959414

SCHEMBL8959414

COC(=O)c1cccc(C(CC(=O)O)NC(=O)c2cc(I)ccc2NCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MAPK1 P28482 1/20 0.44
CYP26A1 O43174 4/20 0.41
KCNK3 O14649 1/20 0.41
HIF1A Q16665 1/20 0.40
HTR6 P50406 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPM1D O15297 2/20 0.38

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
SCHEMBL7329704 0.91 MAPT (0.42) MAPTMAPK1KCNK3HIF1AHTR6
SCHEMBL9318974 0.88 CYP26A1 (0.44) MAPTCYP26A1MEN1LMNACYP3A4
SCHEMBL7328034 0.80 ALDH1A1 (0.42) MAPTMAPK1CYP26A1KCNK3MEN1
SCHEMBL7356190 0.79 CDC25B (0.43) MAPTMEN1LMNACYP3A4CYP2C9
SCHEMBL7326911 0.78 ROCK2 (0.44) MAPTCYP26A1MEN1LMNACYP3A4
SCHEMBL7332244 0.76 ALDH1A1 (0.41) MAPTMEN1LMNACYP3A4CYP2C9
SCHEMBL5926345 0.75 CYP26A1 (0.42) MAPTMAPK1CYP26A1MEN1KMT2A
SCHEMBL7326648 0.73 ALDH1A1 (0.47) MAPTCYP26A1MEN1LMNAKMT2A
SCHEMBL7334505 0.71 PPID (0.40) MAPTHTR6CA1CA2MEN1
SCHEMBL13802920 0.69 CASR (0.45) MAPTCYP26A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed