SCHEMBL9305523

SCHEMBL9305523

COc1ccc2nc(SC(CC(=O)O)C(=O)O)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PRNP P04156 1/20 0.43
APP P05067 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LCK P06239 1/20 0.41
TLR4 O00206 1/20 0.41
XDH P47989 1/20 0.41
NLRP3 Q96P20 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PTGS2 P35354 1/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 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
SCHEMBL10892267 0.91 KMT2A (0.42) LMNAPRNPKDM4EMAPTRAB9A
SCHEMBL8972641 0.89 PPARA (0.48) APPKDM4EMAPTRAB9ANPC1
SCHEMBL9305093 0.83 MAPT (0.42) LMNAMAPTRAB9ANPC1L3MBTL1
SCHEMBL8972457 0.82 ALDH1A1 (0.40) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL9306813 0.82 POLB (0.41) LMNAMAPTRAB9AXDHNLRP3
SCHEMBL10888973 0.81 POLB (0.40) KDM4EMAPTRAB9ANPC1L3MBTL1
SCHEMBL9304721 0.81 ALDH1A1 (0.36) LMNAKDM4EMAPTRAB9ANPC1
SCHEMBL9305788 0.79 HSD17B10 (0.39) LMNAKDM4EMAPTRAB9ANPC1
SCHEMBL8972330 0.79 KMT2A (0.52) LMNAMAPTRAB9ANPC1L3MBTL1
SCHEMBL9305817 0.78 MAPT (0.47) LMNAKDM4EMAPTRAB9ANPC1

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