SCHEMBL9305814

SCHEMBL9305814

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
MAPT P10636 10/20 0.50
SMN1; SMN2 Q16637 8/20 0.50
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 5/20 0.50
TP53 P04637 3/20 0.50
HSD17B10 Q99714 3/20 0.50
CSNK1D P48730 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
TDP1 Q9NUW8 4/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 2/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 4/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 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
SCHEMBL9305793 0.91 ALDH1A1 (0.52) PPARAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8973017 0.88 PKM (0.51) MAPTSMN1; SMN2ALDH1A1KMT2ATP53
SCHEMBL9305787 0.83 PPARA (0.57) PPARAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8972422 0.82 RAB9A (0.47) MAPTSMN1; SMN2ALDH1A1KMT2ATP53
SCHEMBL8972435 0.80 AKR1B1 (0.44) PPARAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8973284 0.80 MEN1 (0.44) MAPTSMN1; SMN2ALDH1A1KMT2ATP53
SCHEMBL9443152 0.79 LDHA (0.43) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL9304897 0.79 NPC1 (0.54) PPARASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL8972966 0.79 CYP1A2 (0.48) MAPTSMN1; SMN2ALDH1A1KMT2ATP53
SCHEMBL9443182 0.78 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KMT2ATP53HSD17B10

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