SCHEMBL7356599

SCHEMBL7356599

CC(=O)Nc1ccc(OC[C]=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
MEN1 O00255 4/20 0.67
CYP1A2 P05177 2/20 0.67
LMNA P02545 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MAPT P10636 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HTT P42858 2/20 0.56
CYP2C19 P33261 2/20 0.55
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRB3 P13945 1/20 0.55
OPRK1 P41145 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 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
SCHEMBL2040098 0.85 KMT2A (0.65) KMT2AMEN1CYP1A2LMNATDP1
SCHEMBL11111056 0.82 ALDH1A1 (0.80) KMT2AMEN1CYP1A2LMNATDP1
SCHEMBL16774419 0.81 KMT2A (0.59) KMT2AMEN1CYP1A2LMNATDP1
SCHEMBL7348005 0.81 RAB9A (0.62) KMT2AMEN1CYP1A2LMNAMAPT
Phenacetin SCHEMBL23280 0.80 KMT2A (1.00) KMT2AMEN1CYP1A2LMNATDP1
SCHEMBL17033976 0.80 ALDH1A1 (0.77) KMT2AMEN1CYP1A2LMNATDP1
SCHEMBL10802880 0.80 ALDH1A1 (0.77) KMT2AMEN1CYP1A2LMNATDP1
Phenacetin SCHEMBL18894356 0.80 KMT2A (1.00) KMT2AMEN1CYP1A2LMNATDP1
SCHEMBL6983615 0.80 PPARA (0.60) KMT2AMEN1MAPTTSHRRAB9A
SCHEMBL7297059 0.80 POLB (0.50) KMT2AMEN1CYP1A2LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
EP-0494118-B1 Process for 3-exomethylenecepham sulfoxide esters LILLY CO ELI (US) 1997-04-09 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO 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-5350845-A Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters ELI LILLY AND COMPANY (US) 1994-09-27 US disclosed
US-4855418-A Process for production of ceophalosporins ELI LILLY AND COMPANY (US) 1989-08-08 US disclosed
EP-0324562-A1 1-Carba(dethia)-3-cephem derivatives ELI LILLY AND COMPANY (US) 1989-07-19 EP disclosed
US-4820816-A 3-trifuoromethylsulfonyloxy-substituted 1-carbacephalosporins as intermediates for antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-04-11 US disclosed
US-4820832-A Process for preparing 3-unsubstituted cephalosporins and 1-carba(dethia)cephalosporins ELI LILLY AND COMPANY (US) 1989-04-11 US disclosed
EP-0299728-A2 Carbonylation process for beta-lactam antibiotics ELI LILLY AND COMPANY (US) 1989-01-18 EP disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
US-4778884-A REACTING TRIFLUOROMETHYLSULFONYLOXY COMPOUND WITH LITHIUM HALIDE IN APROTIC POLAR SOLVENT PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 1988-10-18 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed
US-4673737-A ANTIBIOTICS/ HARVARD UNIVERSITY (US) 1987-06-16 US disclosed
EP-0211540-A1 Intermediates and process for antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1987-02-25 EP disclosed