SCHEMBL7926317

SCHEMBL7926317

CCCNS(=O)(=O)c1ccccc1.OBO

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
LMNA P02545 2/20 0.59
KDM4E B2RXH2 1/20 0.59
PKM P14618 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CA12 O43570 2/20 0.59
CA9 Q16790 2/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
TBXA2R P21731 1/20 0.53
GAA P10253 1/20 0.51
EPHX2 P34913 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
USP2 O75604 1/20 0.50
KEAP1 Q14145 1/20 0.50

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
SCHEMBL301798 0.93 ALDH1A1 (0.68) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL7362553 0.91 ALDH1A1 (0.66) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL12481388 0.91 ALDH1A1 (0.66) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL6984389 0.90 ALDH1A1 (0.68) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL4041546 0.85 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL8851674 0.82 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL28717153 0.82 CA12 (0.64) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL27712513 0.81 ALDH1A1 (0.76) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL51729 0.81 ALDH1A1 (0.76) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
Bicarbonate SCHEMBL27679772 0.81 ALDH1A1 (0.69) ALDH1A1LMNAKDM4EPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294580-B1 FOR THERAPY AND PROPHYLAXIS OF TYPE II OR NON-INSULIN DEPENDENT DIABETES MELLITUS, HYPERGLYCAEMIA, DYSLIPIDEMIA, TYPE II DIABETES, TYPE I DIABETES, HYPERTRIGLYCERIDEMIA, SYNDROME X, INSULIN RESISTANCE, HEART FAILURE GLAXO WELLCOME INC. 2001-09-25 US disclosed
EP-0888317-B1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LTD (GB) 2001-09-12 EP disclosed
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 EP disclosed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 WO disclosed