SCHEMBL8904101

SCHEMBL8904101

CCOC(=O)CCC1CCC(NC(=O)c2cc3cc(C(=N)N)cnc3o2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
ST14 Q9Y5Y6 2/20 0.37
PLG P00747 1/20 0.37
HPGDS O60760 6/20 0.36
SMYD3 Q9H7B4 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 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
SCHEMBL8712746 1.00 RAB9A (0.42) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL8905194 0.87 ITGB3 (0.42) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL8719904 0.87 ITGB3 (0.42) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL8904376 0.86 TPSAB1 (0.48) RAB9ANPC1PRSS1PRSS2PRSS3
SCHEMBL8714115 0.86 TPSAB1 (0.48) RAB9ANPC1PRSS1PRSS2PRSS3
SCHEMBL8904871 0.84 BCHE (0.39) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL8904867 0.84 BCHE (0.39) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL8905109 0.81 HPGDS (0.41) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL8712889 0.81 HPGDS (0.41) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL8903332 0.80 RAB9A (0.41) RAB9ANPC1KMT2AKDM4EALDH1A1

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