SCHEMBL27733859

SCHEMBL27733859

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 12/20 0.47
▸ PPARG P37231 5/20 0.47
▸ PPARD Q03181 5/20 0.47
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ TP53 P04637 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
SCHEMBL27733680 0.94 PPARG (0.47) PPARAPPARGPPARDNPC1RAB9A
SCHEMBL27713509 0.88 AKR1B1 (0.36) PPARAPPARGPPARDNPC1RAB9A
SCHEMBL28775098 0.85 PPARG (0.47) PPARAPPARGPPARDNPC1RAB9A
SCHEMBL27733702 0.84 PPARG (0.46) PPARAPPARGPPARDNPC1RAB9A
SCHEMBL27733852 0.84 PSEN1 (0.39) PPARAPPARGPPARD
SCHEMBL27733882 0.83 PPARG (0.38) PPARAPPARGPPARD
SCHEMBL27733879 0.82 DYRK1A (0.47) PPARGPPARDNPC1RAB9ASMN1; SMN2
SCHEMBL27733711 0.82 PPARG (0.41) PPARAPPARGPPARD
SCHEMBL27713459 0.82 PPARG (0.36) PPARAPPARGPPARDRAB9ATP53
SCHEMBL27833766 0.81 PHGDH (0.38) PPARAPPARGPPARD

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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