SCHEMBL8943828

SCHEMBL8943828

Cc1ccc(C(O)[C]=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CHRNA7 P36544 1/20 0.39
▸ ACHE P22303 3/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ LMNA P02545 5/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ SRD5A2 P31213 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ STAT3 P40763 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL9547873 0.80 CHRNA7 (0.42) ALDH1A1SMN1; SMN2CHRNA7ACHEALOX5
SCHEMBL6875459 0.78 ESR1 (0.44) ALDH1A1SMN1; SMN2TDP1LMNAMEN1
SCHEMBL10949896 0.76 MAPT (0.38) ALDH1A1SMN1; SMN2TDP1LMNAMEN1
SCHEMBL10953516 0.76 HDAC3 (0.42) ALDH1A1SMN1; SMN2LMNACES2CES1
SCHEMBL3991740 0.76 TSHR (0.60) ALDH1A1SMN1; SMN2CHRNA7ACHEALOX5
SCHEMBL1200882 0.76 TSHR (0.60) ALDH1A1SMN1; SMN2CHRNA7ACHEALOX5
SCHEMBL4433661 0.76 BRD4 (0.42) TDP1LMNAMEN1KMT2ATSHR
SCHEMBL7199129 0.76 CHRNA7 (0.39) ALDH1A1SMN1; SMN2CHRNA7ACHEALOX5
SCHEMBL8943724 0.76 CA1 (0.47) ALDH1A1TDP1CES2CES1FFAR1
SCHEMBL2598805 0.75 TSHR (0.58) ALDH1A1TDP1LMNACES2CES1

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 15 patents. 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
US-4533497-A N-ethylidene azetidinones ELI LILLY AND COMPANY (US) 1985-08-06 — — US disclosed
US-4281116-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-07-28 — — US disclosed
US-4260745-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1981-04-07 — — US disclosed
US-4252950-A ANTIBIOTICS, BACTERICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1981-02-24 — — US disclosed
US-4208515-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1980-06-17 — — US disclosed
US-4065618-A Process for 3-H-3-cephem esters ELI LILLY AND COMPANY (US) 1977-12-27 — — US disclosed
US-4065621-A Process for 3-alkyl and 3-phenyl cephalosporins 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
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