SCHEMBL9306161

SCHEMBL9306161

CCOC(=O)c1ccc2oc(C(CC(O)=S)C(O)=S)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
RAB9A P51151 5/20 0.44
NPC1 O15118 5/20 0.44
SLC27A1 Q6PCB7 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9306172 0.93 MAPT (0.48) MAPTRAB9ANPC1SLC27A1TAS1R3
SCHEMBL8973141 0.85 RAB9A (0.42) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL9306155 0.83 MAPT (0.48) MAPTRAB9ANPC1SLC27A1TAS1R3
SCHEMBL9305339 0.82 RAB9A (0.41) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL10892205 0.82 RAB9A (0.47) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL10893427 0.82 RAB9A (0.48) MAPTRAB9ANPC1TAS1R3TAS1R1
SCHEMBL9304870 0.82 RAB9A (0.51) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL8972661 0.80 SMN1; SMN2 (0.45) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL10892622 0.79 SLC27A1 (0.49) MAPTRAB9ANPC1SLC27A1ALDH1A1
SCHEMBL8973151 0.77 RAB9A (0.42) RAB9ANPC1MEN1KMT2AHPGD

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 3 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
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