SCHEMBL8089030

SCHEMBL8089030

CCCCNC(C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 6/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NAAA Q02083 2/20 0.49
PAX8 Q06710 1/20 0.49
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
KMT2A Q03164 1/20 0.46
ASAH1 Q13510 1/20 0.46
ACER2 Q5QJU3 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
APAF1 O14727 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
SCHEMBL11349018 1.00 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTPOLBLMNA
SCHEMBL12159279 1.00 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTPOLBLMNA
SCHEMBL16107540 0.95 NAAA (0.55) SMN1; SMN2ALDH1A1MAPTPOLBLMNA
SCHEMBL1668081 0.95 NAAA (0.55) SMN1; SMN2ALDH1A1MAPTPOLBLMNA
SCHEMBL11348782 0.93 NAAA (0.57) SMN1; SMN2ALDH1A1NAAAHTTASAH1
SCHEMBL11531764 0.93 NAAA (0.57) SMN1; SMN2ALDH1A1NAAAHTTASAH1
SCHEMBL5243467 0.93 NAAA (0.57) SMN1; SMN2ALDH1A1NAAAHTTASAH1
SCHEMBL9780637 0.93 NAAA (0.57) SMN1; SMN2ALDH1A1NAAAHTTASAH1
SCHEMBL3404981 0.93 NAAA (0.57) SMN1; SMN2ALDH1A1NAAAHTTASAH1
SCHEMBL6126665 0.93 NAAA (0.57) SMN1; SMN2ALDH1A1NAAAHTTASAH1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105283439-B The dibenzoylhydrazine of boracic 英特瑞克斯顿股份有限公司 2018-02-02 CN disclosed
EP-0970087-A1 A PROCESS FOR THE PREPARATION OF A METAL SALT OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 2000-01-12 EP disclosed
WO-1998045300-A1 A PROCESS FOR THE PREPARATION OF A METAL SALT OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 1998-10-15 WO disclosed
EP-0806426-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1997-11-12 EP disclosed
EP-0672669-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1995-09-20 EP disclosed
US-4439554-A DENTISTRY, ORTHOPEDICS AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1984-03-27 US disclosed
US-4390714-A DENTISTRY AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1983-06-28 US disclosed
US-4243763-A DENTISTRY AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 1981-01-06 US disclosed
US-3957850-A ANALGESICS, ANTIINFLAMMATORY AGENTS BOUCHARA EMILE 1976-05-18 US disclosed