SCHEMBL8904345

SCHEMBL8904345

N=C(NC(=O)OCc1ccccc1)c1ccc2oc(C(=O)Nc3ccc(N(CC(=O)O)C(=O)OCc4ccccc4)cc3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 4/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL8904266 0.89 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL8712906 0.79 TP53 (0.46) SMN1; SMN2TP53MAPTTSHRHSD17B10
SCHEMBL8905173 0.76 MMP2 (0.42) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL9052307 0.74 ITGB3 (0.52) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL8903290 0.73 HDAC8 (0.47) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL8903947 0.73 F2 (0.49) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL8718835 0.72 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL8719741 0.71 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL7627031 0.71 ALDH1A1 (0.49) KMT2AMAPTALDH1A1
SCHEMBL8713275 0.71 ITGB3 (0.51) NPC1RAB9ASMN1; SMN2TP53MEN1

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
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed