SCHEMBL3435968

SCHEMBL3435968

O=C(O)c1n[nH]c(O)c1-c1ccccc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.39
ALPL P05186 2/20 0.38
NFKB1 P19838 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4A O75164 1/20 0.38
USP2 O75604 1/20 0.38
NSD2 O96028 1/20 0.38
PLCG1 P19174 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
MMP14 P50281 1/20 0.38
CASP6 P55212 1/20 0.38
TNNC1 P63316 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36

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
SCHEMBL2222532 0.74 ENPP2 (0.41) ALPLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL27455057 0.73 LMNA (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6338048 0.69 TSHR (0.45) PGAM1ALPLNFKB1L3MBTL1KDM4A
SCHEMBL458284 0.68 SMN1; SMN2 (0.48) PGAM1ALPLNFKB1L3MBTL1KDM4A
SCHEMBL460174 0.66 STAT3 (0.51) PGAM1ALPLNFKB1L3MBTL1KDM4A
SCHEMBL28837581 0.66 SMN1; SMN2 (0.46) PGAM1ALPLNFKB1L3MBTL1KDM4A
SCHEMBL232659 0.65 CASP1 (0.47) PGAM1TSHRHSD17B10ALDH1A1AKR1B1
SCHEMBL29743050 0.65 CASP1 (0.47) PGAM1TSHRHSD17B10ALDH1A1AKR1B1
SCHEMBL776521 0.64 PGAM1 (0.46) PGAM1ALPLNFKB1L3MBTL1KDM4A
SCHEMBL20837285 0.64 LMNA (0.47) NFKB1L3MBTL1PRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658106-A1 ORAL CARE COMPOSITIONS Colgate-Palmolive Company (US) 2020-06-03 EP disclosed
WO-2019045781-A1 ORAL CARE COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2019-03-07 WO disclosed
EP-3365028-A1 DETECTION AND TREATMENT OF CARIES AND MICROCAVITIES WITH NANOPARTICLES The Regents of The University of Michigan (US) 2018-08-29 EP disclosed
WO-2017070578-A1 DETECTION AND TREATMENT OF CARIES AND MICROCAVITIES WITH NANOPARTICLES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-04-27 WO disclosed
EP-2249770-A2 DUAL COMPONENT ORAL CARE PRODUCT Colgate-Palmolive Company (US) 2010-11-17 EP disclosed
WO-2009100268-A2 DUAL COMPONENT ORAL CARE PRODUCT COLGATE-PALMOLIVE COMPANY (US) 2009-08-13 WO disclosed