SCHEMBL8943724

SCHEMBL8943724

COc1ccc(C(O)[C]=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
AOC3 Q16853 2/20 0.46
ACP3 P15309 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RAB9A P51151 2/20 0.43
ACACB O00763 1/20 0.42

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
SCHEMBL1200448 0.79 TSHR (0.54) CA1CA2CA12CA7CA9
SCHEMBL6168264 0.79 CA1 (0.46) CA1CA2CA12CA7CA9
SCHEMBL5323387 0.79 TSHR (0.54) CA1CA2CA12CA7CA9
SCHEMBL9185138 0.79 TSHR (0.54) CA1CA2CA12CA7CA9
SCHEMBL11782735 0.79 LMNA (0.52) ALDH1A1TSHRMEN1KMT2ANPSR1
SCHEMBL6447670 0.78 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL6696979 0.78 FFAR1 (0.51) CA1CA2CA12CA7CA9
SCHEMBL7442599 0.77 L3MBTL1 (0.54) AOC3ALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL911096 0.77 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL8943828 0.76 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCES2CES1

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
EP-0482594-A1 Tylosin derivative and method for preparing the same MERCIAN CORPORATION (JP) 1992-04-29 EP 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
EP-0244195-A1 2-Vinylpenams and process THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 1987-11-04 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
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