SCHEMBL9304882

SCHEMBL9304882

CN(C)C(=O)c1ccc2oc(SC(CC(=O)O)C(=O)O)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MBOAT4 Q96T53 1/20 0.39
HTT P42858 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
ELANE P08246 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
PRTN3 P24158 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GFER P55789 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL10892216 0.89 HPGD (0.44) RAB9ANPC1HPGDSMN1; SMN2MBOAT4
SCHEMBL8973146 0.87 NPC1 (0.50) RAB9ANPC1HPGDSMN1; SMN2MBOAT4
SCHEMBL9305346 0.85 HPGD (0.41) RAB9ANPC1HPGDSMN1; SMN2MBOAT4
SCHEMBL10893433 0.84 SIRT5 (0.41) RAB9ANPC1HPGDSMN1; SMN2MBOAT4
SCHEMBL9305598 0.84 ALDH1A1 (0.42) RAB9ANPC1HTTELANEMAPT
SCHEMBL9306165 0.83 TP53 (0.44) RAB9ANPC1HPGDSMN1; SMN2MBOAT4
SCHEMBL8972664 0.82 SMN1; SMN2 (0.47) RAB9ANPC1HPGDSMN1; SMN2HTT
SCHEMBL8972438 0.80 LMNA (0.51) HPGDSMN1; SMN2MBOAT4NPSR1MAPT
SCHEMBL10892267 0.80 KMT2A (0.42) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL9305788 0.77 HSD17B10 (0.39) RAB9ANPC1HPGDSMN1; SMN2ELANE

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 2 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