SCHEMBL7769508

SCHEMBL7769508

O=[C]CSc1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.42
TDP1 Q9NUW8 3/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRM2 Q14416 2/20 0.37
GRM3 Q14832 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
HAO1 Q9UJM8 1/20 0.35
AHR P35869 2/20 0.34
TP53 P04637 1/20 0.34
FBP1 P09467 1/20 0.34
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MPI P34949 1/20 0.33

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
SCHEMBL10946224 0.83 MCL1 (0.36) DAOMAPTALDH1A1CYP1A2
SCHEMBL10821427 0.83 TSHR (0.35) DAOHTTNPSR1MAPTALDH1A1
SCHEMBL6812238 0.80 DAO (0.39) DAOTDP1HTTNPSR1LMNA
SCHEMBL2320892 0.77 MAOA (0.43) DAOHTTLMNAMAPTIDO1
SCHEMBL9515929 0.76 TDP1 (0.45) DAOTDP1MAPK1HTTNPSR1
SCHEMBL2952763 0.74 GRM5 (0.50) TDP1MAPK1HTTMAPTFBP1
SCHEMBL9696956 0.74 DAO (0.42) DAOTDP1HTTNPSR1GRM2
SCHEMBL6496327 0.72 TP53 (0.44) DAOTDP1HTTNPSR1LMNA
SCHEMBL9782141 0.72 SOD1 (0.44)
SCHEMBL6806423 0.72 ALDH1A1 (0.42) DAOTDP1MAPK1HTTNPSR1

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0382411-B1 Delivery of cytotoxic agents LILLY CO ELI (US) 1994-12-07 EP claimed
WO-1994001137-A1 METHOD FOR DELIVERY OF CYTOTOXIC AGENTS AND COMPONENTS THEREOF HYBRITECH INCORPORATED (US) 1994-01-20 WO claimed
EP-0382411-A2 Delivery of cytotoxic agents ELI LILLY AND COMPANY (US) 1990-08-16 EP claimed
US-4526962-A Cephalosporin derivatives RHONE-POULENC SANTE (FR) 1985-07-02 US claimed
US-4401660-A TYLOSINS; VETERINARY MEDICINE; PASTEURELLA; ANIMAL GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1983-08-30 US claimed
EP-0334590-B1 3-(Substituted)-1-carba(dethia)-3-cephems and cephalosporins and a process for production therefor LILLY CO ELI (US) 2001-07-04 EP disclosed
EP-0565351-B1 Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters LILLY CO ELI (US) 2000-08-23 EP disclosed
EP-0494118-B1 Process for 3-exomethylenecepham sulfoxide esters LILLY CO ELI (US) 1997-04-09 EP disclosed
US-5512454-A Enzymatic acylation of 3-hydroxymethyl cephalosporins BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-30 US disclosed
EP-0677523-A1 3-(substituted)-1-carba(dethia)-3-cephems and cephalosporins and a process for production therefor ELI LILLY AND COMPANY (US) 1995-10-18 EP disclosed
EP-0667396-A1 Enzymatic acylation of 3-hydroxymethyl cephalosporins BRISTOL-MYERS SQUIBB COMPANY (US) 1995-08-16 EP disclosed
EP-0334592-B1 A process for preparing 3-unsubstituted cephalosporins and 1-carba(dethia)cephalosporins LILLY CO ELI (US) 1995-01-25 EP disclosed
US-4145538-A 3-Carbamyloxymethyl-cephalosporins ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed
US-4065621-A Process for 3-alkyl and 3-phenyl cephalosporins ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4065618-A Process for 3-H-3-cephem esters ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 US disclosed
US-4013651-A 3-SUBSTITUTED AMINO-CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1977-03-22 US disclosed
US-3992377-A 3-Thio-substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1976-11-16 US disclosed
US-3985737-A ANTIBACTERIAL AGENTS ELI LILLY AND COMPANY (US) 1976-10-12 US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed