SCHEMBL9601710

SCHEMBL9601710

CC(CC(Cl)CO)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.48
FOLH1 Q04609 2/20 0.48
ENPEP Q07075 2/20 0.43
GABRR1 P24046 2/20 0.39
CYP1A2 P05177 1/20 0.39
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MME P08473 1/20 0.35
LMNA P02545 1/20 0.35
OR51E2 Q9H255 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL9601704 0.81 NAALAD2 (0.48) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL1132276 0.81 NAALAD2 (0.48) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL27538525 0.81 NAALAD2 (0.48) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL1131948 0.77
SCHEMBL10938417 0.76 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL7314519 0.76 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL443229 0.76 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL5081383 0.75 NAALAD2 (0.46) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL791884 0.73
SCHEMBL188004 0.73

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