SCHEMBL27713303

SCHEMBL27713303

C=CC(c1ccc2sc(C)nc2c1)S(=O)(=O)n1c(C(C)C(=O)O)cc2cc(C(F)(F)F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ PPARG P37231 3/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ AKR1B1 P15121 7/20 0.34
▸ AKR1A1 P14550 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ OGA O60502 2/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL27733656 0.94 PPARG (0.36) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL27713509 0.90 AKR1B1 (0.36) POLBPPARGPPARAPPARDAKR1B1
SCHEMBL27713321 0.85 SCN4A (0.42) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL28775101 0.84 PPARG (0.43) POLBPPARGPPARAPPARDNPC1
SCHEMBL27713459 0.83 PPARG (0.36) PPARGPPARAPPARDAKR1B1AKR1A1
SCHEMBL27733706 0.82 DYRK1A (0.52) POLBNPC1RAB9ADYRK1A
SCHEMBL28775092 0.79 AKR1C3 (0.39) PPARGPPARAPPARDAKR1C3AKR1C2
SCHEMBL27733824 0.77 TRPV1 (0.37) PPARGPPARAOGATRPV1AKR1C3
SCHEMBL27733859 0.77 PPARA (0.47) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL27733816 0.76 PPARG (0.39) PPARGPPARAPPARDAKR1C3AKR1C2

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
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 — — CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 — — CN disclosed
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