SCHEMBL8712889

SCHEMBL8712889

CC(C)(C)OC(=O)CO[C@H]1CC[C@H](NC(=O)c2cc3cc(C(=N)N)cnc3o2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 15/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.40
F2 P00734 2/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ST14 Q9Y5Y6 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
SCHEMBL8905109 1.00 HPGDS (0.41) HPGDSNPC1RAB9AKMT2AF2
SCHEMBL8903332 0.87 RAB9A (0.41) HPGDSNPC1RAB9AKMT2AF2
SCHEMBL8712449 0.87 RAB9A (0.41) HPGDSNPC1RAB9AKMT2AF2
SCHEMBL8712867 0.87 F2 (0.51) NPC1RAB9AF2TPSAB1TPSD1
SCHEMBL8903361 0.87 F2 (0.51) NPC1RAB9AF2TPSAB1TPSD1
SCHEMBL8713959 0.85 IRAK4 (0.40) HPGDSNPC1RAB9AKMT2AKDM4E
SCHEMBL8906191 0.85 IRAK4 (0.40) HPGDSNPC1RAB9AKMT2AKDM4E
SCHEMBL8904101 0.81 RAB9A (0.42) HPGDSNPC1RAB9AKMT2AF2
SCHEMBL8712746 0.81 RAB9A (0.42) HPGDSNPC1RAB9AKMT2AF2
SCHEMBL8903365 0.78 ITGB3 (0.38) HPGDSF2TPSAB1TPSD1TPSG1

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-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
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