SCHEMBL9305787

SCHEMBL9305787

CCOc1ccc2nc(C(CC(=O)S)C(=O)O)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.57
SMN1; SMN2 Q16637 8/20 0.52
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
ALDH1A1 P00352 5/20 0.52
TP53 P04637 4/20 0.52
MAPK1 P28482 3/20 0.52
POLB P06746 2/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 6/20 0.51
HSD17B10 Q99714 4/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 9/20 0.51
CSNK1D P48730 1/20 0.51
MEN1 O00255 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL8972963 0.88 ATAD2 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL9305814 0.83 PPARA (0.54) PPARASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11397727 0.82 PPARA (0.58) PPARASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8972395 0.82 RAB9A (0.48) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL9305793 0.80 ALDH1A1 (0.52) PPARASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8972421 0.79 DYRK1A (0.45) PPARASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8973268 0.79 MEN1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL9304878 0.79 NPC1 (0.55) PPARASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9443138 0.79 LDHA (0.44) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL9443176 0.78 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1TP53

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
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