SCHEMBL8973281

SCHEMBL8973281

Nc1ccc2nc(SC(CC(=O)O)C(=O)O)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 7/20 0.53
HPGD P15428 2/20 0.53
THRB P10828 1/20 0.53
PPARA Q07869 7/20 0.53
MAPT P10636 6/20 0.52
LMNA P02545 1/20 0.52
KEAP1 Q14145 1/20 0.51
SHMT2 P34897 1/20 0.50
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
PPARG P37231 3/20 0.45
PPARD Q03181 2/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 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
SCHEMBL8972429 0.85 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL8971602 0.83 PDK1 (0.60) MEN1KMT2AALDH1A1PPARAMAPT
SCHEMBL8972408 0.83 PPARA (0.56) PPARAPTGESALOX5PPARGPPARD
SCHEMBL9443148 0.82 PTGES (0.55) PPARALMNAPTGESALOX5PPARG
SCHEMBL8972971 0.82 PPARA (0.64) MEN1KMT2AALDH1A1PPARAMAPT
SCHEMBL402778 0.82 ALDH1A1 (0.57) MEN1KMT2AALDH1A1HPGDPPARA
SCHEMBL9443180 0.81 PPARA (0.52) MEN1KMT2AALDH1A1PPARAPTGES
SCHEMBL10895810 0.81 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HPGDPPARA
Ammonia Solution, Strong SCHEMBL7033477 0.81 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HPGDPPARA
SCHEMBL10893548 0.81 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HPGDPPARA

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 7 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
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
EP-0375614-B1 CORROSION-INHIBITING COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed