SCHEMBL7443547

SCHEMBL7443547

Cc1cc(OCCO)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
MAPK1 P28482 1/20 0.43
NR1H2 P55055 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDR P35968 1/20 0.39

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
SCHEMBL7966118 0.86 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTGAAMAPK1
SCHEMBL7452056 0.84 MCL1 (0.52) SMN1; SMN2ALDH1A1MAPTGAAMEN1
SCHEMBL7371023 0.84 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTGAANPY1R
SCHEMBL7340776 0.83 KMT2A (0.45) SMN1; SMN2MAPTMEN1KMT2AHDAC8
SCHEMBL8342543 0.82 KMT2A (0.50) SMN1; SMN2MEN1KMT2AHDAC8NPC1
SCHEMBL2157110 0.82 RAB9A (0.53) SMN1; SMN2GAACA12CA1CA2
SCHEMBL7351054 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPTGAAMEN1
SCHEMBL7343350 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTGAAMEN1
SCHEMBL7371021 0.81 MCHR1 (0.40) SMN1; SMN2MCHR1ALDH1A1MAPTGAA
SCHEMBL18109931 0.79 CA12 (0.42) GAACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912182-A4 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO INC (US) 1999-12-29 EP disclosed
US-5990107-A ADMINISTERING TO INHIBIT THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS IN A MAMMAL; OR TO INHIBIT OSTEOCLAST MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1999-11-23 US disclosed
EP-0912182-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
WO-1998000144-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-01-08 WO disclosed