SCHEMBL6645006

SCHEMBL6645006

Nc1cc(C(=O)O)cnc1NCC1CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.49
LDHB P07195 1/20 0.49
PDE10A Q9Y233 1/20 0.47
PTGER4 P35408 1/20 0.42
KDM4C Q9H3R0 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41
RIOX2 Q8IUF8 1/20 0.41
KDM8 Q8N371 1/20 0.41
PIM1 P11309 1/20 0.41
CRHR1 P34998 1/20 0.38
EGLN1 Q9GZT9 2/20 0.37
HCAR3 P49019 2/20 0.37
VNN1 O95497 1/20 0.37
FFAR2 O15552 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
MCHR1 Q99705 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
SCHEMBL5881730 0.85 PTGER4 (0.48) LDHALDHBPDE10APTGER4KDM4E
SCHEMBL26914521 0.84 HCAR3 (0.53) LDHALDHBKDM4EHCAR3
SCHEMBL26914522 0.84 HCAR3 (0.53) LDHALDHBKDM4EHCAR3
SCHEMBL5881801 0.79 PRKCQ (0.47) HCAR3
SCHEMBL3367671 0.76 PTGER4 (0.41) LDHALDHBPDE10APTGER4FFAR2
SCHEMBL16076739 0.75 VNN1 (0.49) LDHALDHBPDE10AKDM4CKDM4E
SCHEMBL16049359 0.74 VNN1 (0.48) LDHALDHBPDE10AKDM4CKDM4E
SCHEMBL15774700 0.74 PTGER4 (0.67) LDHALDHBPTGER4KDM4CKDM4E
SCHEMBL6644250 0.73 PRKCQ (0.46) PIM1
SCHEMBL19172463 0.72 CNR1 (0.39) KDM4EHCAR3FFAR2

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
EP-1390350-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-02-25 EP disclosed
WO-2002085866-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-31 WO disclosed