SCHEMBL8972733

SCHEMBL8972733

CC(C(=O)O)C(C)(Sc1nc2ccccc2[nH]1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
POLB P06746 2/20 0.50
KMT2A Q03164 4/20 0.49
TXN P10599 1/20 0.49
RAB9A P51151 4/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPC1 O15118 3/20 0.45
HIF1A Q16665 1/20 0.44
MEN1 O00255 1/20 0.44
MYC P01106 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL11022302 0.82 SMN1; SMN2 (0.57) SMN1; SMN2POLBKMT2ATXNRAB9A
SCHEMBL10644225 0.77 MYC (0.49) SMN1; SMN2POLBKMT2ATXNRAB9A
SCHEMBL10761746 0.77 SMN1; SMN2 (0.48) SMN1; SMN2POLBKMT2ATXNRAB9A
SCHEMBL9304496 0.75 SMN1; SMN2 (0.65) SMN1; SMN2POLBKMT2ATXNRAB9A
SCHEMBL11121930 0.75 SMN1; SMN2 (0.73) SMN1; SMN2POLBKMT2ATXNRAB9A
SCHEMBL10894099 0.75 KMT2A (0.59) SMN1; SMN2KMT2ATXNRAB9ACYP1A2
SCHEMBL11021421 0.74 SMN1; SMN2 (0.53) SMN1; SMN2POLBKMT2ATXNRAB9A
SCHEMBL13111858 0.74 TXN (0.72) SMN1; SMN2POLBKMT2ATXNRAB9A
SCHEMBL11021237 0.73 KMT2A (0.51) SMN1; SMN2POLBKMT2ATXNRAB9A
SCHEMBL9179648 0.73 SMN1; SMN2 (0.52) SMN1; SMN2POLBKMT2ATXNRAB9A

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
US-5549847-A STIRRING A FILTER CAKE OF CORROSION INHIBITOR WITH DISPERSANT AND THICKENER; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
EP-0511163-B1 Pourable aqueous dispersions of polycarboxylic acid corrosion inhibitors CIBA GEIGY AG (CH) 1995-07-26 EP disclosed
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
EP-0511163-A1 Pourable aqueous dispersions of polycarboxylic acid corrosion inhibitors CIBA-GEIGY AG (CH) 1992-10-28 EP disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed
EP-0183647-A1 Anti-corrosive aqueous paints CIBA-GEIGY AG (CH) 1986-06-04 EP disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed