SCHEMBL9602466

SCHEMBL9602466

O=C(O)Cn1nnnc1CCO

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.53
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.37
NAALAD2 Q9Y3Q0 2/20 0.36
MAPK1 P28482 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
HSD11B1 P28845 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32

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
SCHEMBL4135826 0.85 KDM4C (0.53) KDM4CALDH1A1HPGDNAALAD2MAPK1
SCHEMBL9602462 0.85 KDM4C (0.53) KDM4CALDH1A1HPGDNAALAD2MAPK1
SCHEMBL3728791 0.85 KDM4C (0.55) KDM4CALDH1A1HPGDCYP1A2NAALAD2
SCHEMBL11535261 0.84 KDM4C (0.51) KDM4CALDH1A1HPGDCYP1A2NAALAD2
SCHEMBL28695451 0.84 KDM4C (0.51) KDM4CALDH1A1HPGDNAALAD2MAPK1
SCHEMBL13872406 0.81 KDM4C (0.55) KDM4CALDH1A1HPGDNAALAD2MAPK1
SCHEMBL11802408 0.80 KDM4C (0.48) KDM4CALDH1A1HPGDMAPK1
SCHEMBL20223332 0.79 KDM4C (0.54) KDM4CALDH1A1HPGDMAPK1TRPV1
SCHEMBL6952050 0.79 KDM4C (0.54) KDM4CALDH1A1HPGDNAALAD2MAPK1
SCHEMBL10363667 0.79 KDM4C (0.54) KDM4CALDH1A1HPGDNAALAD2MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed