SCHEMBL9303903

SCHEMBL9303903

CCCCCCc1ccc2sc(C(CC(=O)S)C(=O)O)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.41
S1PR4 O95977 5/20 0.41
PPARA Q07869 3/20 0.40
KAT8 Q9H7Z6 2/20 0.40
S1PR5 Q9H228 3/20 0.39
S1PR2 O95136 2/20 0.39
S1PR3 Q99500 1/20 0.38
PPARG P37231 2/20 0.38
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RARB P10826 1/20 0.36

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
SCHEMBL9303905 0.84 S1PR1 (0.43) S1PR1S1PR4PPARAKAT8S1PR5
SCHEMBL8972523 0.79 DYRK1A (0.46) PPARANPC1NFKB1RAB9ANFKB2
SCHEMBL11023173 0.79 S1PR4 (0.42) S1PR1S1PR4PPARAKAT8S1PR5
SCHEMBL10597804 0.78 LOXL2 (0.44) PPARAPPARGNPC1NFKB1RAB9A
SCHEMBL10889968 0.77 NPC1 (0.44) PPARAPPARGNPC1NFKB1RAB9A
SCHEMBL8972395 0.77 RAB9A (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9443205 0.77 HPGD (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9307083 0.77 GAA (0.41) S1PR1S1PR4PPARAKAT8S1PR5
SCHEMBL9305746 0.76 CASP3 (0.38) PPARAPPARGCASP3SENP8SENP7
SCHEMBL9443201 0.76 ALDH1A1 (0.41) PPARANPC1RAB9ASMN1; SMN2ALDH1A1

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