SCHEMBL3629367

SCHEMBL3629367

O=C(O)c1c(OCOCc2ccccc2)ccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.45
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
AVPR1A P37288 1/20 0.42
AVPR1B P47901 1/20 0.42
CA9 Q16790 1/20 0.42
FOLH1 Q04609 1/20 0.42
CTSD P07339 1/20 0.42

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
SCHEMBL4345297 0.88 NPC1 (0.60) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL5404802 0.87 ALDH1A1 (0.52) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL23152216 0.81 CTSD (0.50) RAB9AMAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL10935027 0.81 ALDH1A1 (0.52) RAB9AHPGDALDH1A1HSD17B10KDM4E
SCHEMBL4799007 0.79 ALDH1A1 (0.50) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2420501 0.79 ALDH1A1 (0.50) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL6562825 0.78 ALDH1A1 (0.66) RAB9AMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL503962 0.78 ALDH1A1 (0.61) RAB9AL3MBTL1HPGDALDH1A1HSD17B10
SCHEMBL30393029 0.78 ALDH1A1 (0.61) RAB9AL3MBTL1HPGDALDH1A1HSD17B10
SCHEMBL27720646 0.77 KCNA3 (0.56) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1

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
EP-2155704-A1 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148744-A1 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2008-12-11 WO disclosed