SCHEMBL8906181

SCHEMBL8906181

CC(=O)N(OC1CCN(C(=O)OCc2ccccc2)CC1)[C@@H](Cc1ccc(NC(=O)c2cc3cc(C(=N)NC(=O)OCc4ccccc4)ccc3o2)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
FLT3 P36888 1/20 0.37
F2 P00734 2/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
CETP P11597 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8904947 0.78 F10 (0.51) F2PLGPRSS1TPSAB1TPSD1
SCHEMBL8904689 0.76 SMN1; SMN2 (0.48) ENPP2NPC1RAB9AMEN1KMT2A
SCHEMBL8905145 0.76 SMN1; SMN2 (0.48) ENPP2NPC1RAB9AMEN1KMT2A
SCHEMBL8905173 0.73 MMP2 (0.42) F2PRSS1PRSS2PRSS3NPC1
SCHEMBL9052307 0.73 ITGB3 (0.52) NPC1RAB9AMAPTHSD17B10TSHR
SCHEMBL8904332 0.72 SMN1; SMN2 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8903290 0.71 HDAC8 (0.47) F2NPC1RAB9AMAPTHSD17B10
SCHEMBL8904345 0.71 NPC1 (0.43) NPC1RAB9AMAPTHSD17B10TSHR
SCHEMBL8903947 0.70 F2 (0.49) F2PLGPRSS1PRSS2PRSS3
SCHEMBL8712906 0.69 TP53 (0.46) F2PLGTPSAB1TPSD1TPSG1

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