SCHEMBL7067287

SCHEMBL7067287

O=C(OCCc1ccccc1)C(CCOS(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7973451 0.93 CA1 (0.38) CA1CA2CA9HCAR2ESR1
SCHEMBL7065725 0.92 ALDH1A1 (0.42) CA1CA2ALDH1A1FKBP1ALMNA
SCHEMBL7971433 0.91 FKBP1A (0.38) CA1CA2CA9HCAR2ESR1
SCHEMBL7068104 0.88 ALDH1A1 (0.40) CA1CA2CA9HCAR2NPC1
SCHEMBL7971248 0.85 FKBP1A (0.41) CA1CA2RAB9AALDH1A1CTSK
SCHEMBL7064430 0.84 TDP1 (0.42) CA1CA2CA9NPC1RAB9A
SCHEMBL7973259 0.84 FKBP1A (0.43) CA1CA2RAB9AALDH1A1CTSK
SCHEMBL7067159 0.84 TSHR (0.41) NPC1RAB9ATDP1L3MBTL1ALDH1A1
SCHEMBL7067274 0.83 KMT2A (0.41) CA2CA9NPC1RAB9AMAPK1
SCHEMBL7065836 0.82 MAPT (0.41) CA2CA9TDP1L3MBTL1SMN1; SMN2

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
EP-0827954-B1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2003-06-04 EP disclosed
US-6114543-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-05 US disclosed
US-5880291-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-09 US disclosed