SCHEMBL8943839

SCHEMBL8943839

O=[C]Cc1ccccc1OCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GLA P06280 1/20 0.54
PTGDR2 Q9Y5Y4 7/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TBXAS1 P24557 2/20 0.50
ALOX15 P16050 1/20 0.48
FFAR1 O14842 1/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2936654 0.85 L3MBTL1 (0.59) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL503961 0.80 L3MBTL1 (0.77) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL266662 0.80 L3MBTL1 (0.72) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL3409855 0.80 L3MBTL1 (0.67) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL9836686 0.79 L3MBTL1 (0.61) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL29682135 0.79 L3MBTL1 (0.80) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL340762 0.79 L3MBTL1 (0.80) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL4300659 0.79 L3MBTL1 (0.65) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL11204805 0.79 L3MBTL1 (0.65) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL6633645 0.79 L3MBTL1 (0.65) L3MBTL1POLBSMN1; SMN2GLAPTGDR2

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 10 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-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-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 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