SCHEMBL8943834

SCHEMBL8943834

O=[C]C(O)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
KCNH2 Q12809 1/20 0.36
GLS O94925 1/20 0.36
CA1 P00915 1/20 0.36
MMP2 P08253 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
MAPK1 P28482 1/20 0.35
CTSA P10619 1/20 0.35

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
SCHEMBL27639689 0.80 TSHR (0.57) IDO1TDO2ALDH1A1CYP3A4CYP2D6
SCHEMBL198178 0.80 TSHR (0.57) IDO1TDO2ALDH1A1CYP3A4CYP2D6
SCHEMBL31135320 0.80 IDO1 (0.41) IDO1TDO2PARP1ALDH1A1CYP3A4
SCHEMBL6433380 0.79 IDO1 (0.43) IDO1TDO2PARP1ALDH1A1CA1
SCHEMBL27689825 0.79 IDO1 (0.46) IDO1TDO2PARP1ALDH1A1CYP3A4
SCHEMBL8944137 0.78 ADRB1 (0.48) ALDH1A1CYP3A4SLC6A3CA1CA14
SCHEMBL9781895 0.78 CPN1 (0.47) ALDH1A1CYP3A4CA1CA14
SCHEMBL5773097 0.76 CYP3A4 (0.47) IDO1TDO2PARP1ALDH1A1CYP3A4
SCHEMBL5872085 0.76 IDO1 (0.47) IDO1TDO2PARP1ALDH1A1CYP3A4
SCHEMBL241692 0.76 IDO1 (0.47) IDO1TDO2PARP1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532353-A Process for the preparation of halogenated β-lactam compounds BIOCHIMICA OPOS SPA (IT) 1996-07-02 US disclosed
EP-0570058-A2 Process for the preparation of halogenated beta-lactam compounds BIOCHIMICA OPOS SPA (IT) 1993-11-18 EP disclosed
US-4992544-A Intermediates for b-lactam antibiotics and b-lactamase inhibitor UNIVERSITY OF NOTRE DAME DU LAC (US) 1991-02-12 US disclosed
EP-0136788-B1 PROCESS FOR PREPARING PENICILLIN AND CEPHALOSPORIN SULFONES ELI LILLY AND COMPANY (US) 1988-12-07 EP disclosed
EP-0112135-B1 BROMINATION OF CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1988-01-13 EP disclosed
US-4604386-A CONTROL OF GRAMPOSITIVE BACTERIA ELI LILLY AND COMPANY (US) 1986-08-05 US disclosed
EP-0168222-A2 3-(Alkynylalkyloxy) Cephalosporins ELI LILLY AND COMPANY (US) 1986-01-15 EP disclosed
US-4537720-A N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamino)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1985-08-27 US disclosed
US-4533497-A N-ethylidene azetidinones ELI LILLY AND COMPANY (US) 1985-08-06 US disclosed
EP-0136788-A1 Process for preparing penicillin and cephalosporin sulfones ELI LILLY AND COMPANY (US) 1985-04-10 EP 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-4060688-A Cephalosporin intermediates ELI LILLY AND COMPANY (US) 1977-11-29 US disclosed
US-4013651-A 3-SUBSTITUTED AMINO-CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1977-03-22 US disclosed
US-4012380-A 7-Acylamino-3-acyl-2(or 3)cephems ELI LILLY AND COMPANY (US) 1977-03-15 US disclosed
US-4001226-A 3-(SUBSTITUTED)CARBONYLAMINO CEPHEM DERIVATIVES ELI LILLY AND COMPANY (US) 1977-01-04 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
US-3953436-A 3,4-Dicarboxycephalosporins and derivatives ELI LILLY AND COMPANY (US) 1976-04-27 US disclosed