SCHEMBL11427407

SCHEMBL11427407

O=C(O)c1cccc2c1CCc1cc(OCCO)ccc1S2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ PTPN11 Q06124 5/20 0.37
▸ MPL P40238 1/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ PRKAB2 O43741 2/20 0.35
▸ PRKAG1 P54619 2/20 0.35
▸ PRKAA2 P54646 2/20 0.35
▸ PRKAA1 Q13131 2/20 0.35
▸ PRKAG3 Q9UGI9 2/20 0.35
▸ PRKAG2 Q9UGJ0 2/20 0.35
▸ PRKAB1 Q9Y478 2/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ BCL2 P10415 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ KLF5 Q13887 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
SCHEMBL11430646 0.90 ITGB3 (0.35) PTPN11MPLPPARDBCL2MCL1
SCHEMBL11442019 0.87 SMN1; SMN2 (0.41) PPARDDHODHNPC1RAB9AMRGPRX4
SCHEMBL11441150 0.83 KDM4E (0.43) MCL1NPC1POLBRAB9A
SCHEMBL11427494 0.79 KDM4C (0.33) PPARDBCL2MCL1
SCHEMBL11427495 0.78 ALDH1A1 (0.42) GAAGFER
SCHEMBL11435848 0.77 CXCR5 (0.40) GAADHODH
SCHEMBL11436448 0.77 TDP1 (0.39) GAANPC1RAB9AL3MBTL1
SCHEMBL11432336 0.76 TRPA1 (0.41) GAA
SCHEMBL11442749 0.75 CXCR5 (0.43) MPL
SCHEMBL11430580 0.73 TAS1R3 (0.39) GAANPC1RAB9AL3MBTL1

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-4228284-A ANTIINFLAMMATORY AGENTS Nippon Chemiphar Company, Limited (JP) 1980-10-14 — — US disclosed
US-4166127-A ANTIINFLAMMATORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1979-08-28 — — US disclosed
US-4101667-A ANTIINFLAMMATORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1978-07-18 — — US disclosed
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