SCHEMBL7771463

SCHEMBL7771463

O=C(COc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(Br)CS[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ CTDSP1 Q9GZU7 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ SPOP O43791 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL9152111 1.00 PLCG1 (0.67) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL10779487 1.00 PLCG1 (0.67) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL11130980 1.00 PLCG1 (0.67) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL10840113 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL27938962 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL10820995 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL8533433 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL1010087 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL11690202 0.91 PLCG1 (0.65) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL11686985 0.91 PLCG1 (0.65) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1

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 8 patents. 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-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-0334592-B1 A process for preparing 3-unsubstituted cephalosporins and 1-carba(dethia)cephalosporins LILLY CO ELI (US) 1995-01-25 — — EP disclosed
US-5128336-A Antibiotics ELI LILLY AND COMPANY (US) 1992-07-07 — — US disclosed
EP-0334590-A2 3-(Substituted)-1-carba(dethia)-3-cephems and cephalosporins and a process for production therefor ELI LILLY AND COMPANY (US) 1989-09-27 — — EP disclosed
EP-0334592-A2 A process for preparing 3-unsubstituted cephalosporins and 1-carba(dethia)cephalosporins ELI LILLY AND COMPANY (US) 1989-09-27 — — EP disclosed
US-4855418-A Process for production of ceophalosporins ELI LILLY AND COMPANY (US) 1989-08-08 — — 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
Send feedback