SCHEMBL9656123

SCHEMBL9656123

CCn1cc(C(=O)OC)c(=O)c2cc(F)c(N3CCN(C(OC)OC)CC3)cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.62
ALDH1A1 P00352 8/20 0.62
HPGD P15428 5/20 0.62
HSD17B10 Q99714 5/20 0.62
DRD3 P35462 1/20 0.62
GAA P10253 3/20 0.61
RAD52 P43351 1/20 0.61
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
NPC1 O15118 1/20 0.59
LMNA P02545 3/20 0.58
TSHR P16473 2/20 0.58
HTT P42858 2/20 0.58
BRD4 O60885 1/20 0.58
CYP2J2 P51589 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
GLA P06280 1/20 0.57
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ATM Q13315 1/20 0.55

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
SCHEMBL9632585 0.91 DRD3 (0.74) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL9634547 0.85 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL9633140 0.83 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL12665447 0.80 DRD3 (0.79) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL13923341 0.80 DRD3 (0.79) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL9633927 0.80 DRD3 (0.68) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL11067262 0.79 KDM4E (0.80) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL10027766 0.79 DRD3 (0.84) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL32659736 0.78 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL13923331 0.77 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10DRD3

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-5162523-A CEPHALOSPORIN ANTIBACTERIAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1992-11-10 US disclosed
EP-0409081-A1 Beta-Lactam Derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-23 EP disclosed