SCHEMBL27733849

SCHEMBL27733849

C=CC(c1ccc2c(c1)CCO2)S(=O)(=O)n1c(C(CC)C(=O)O)cc2cc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.36
▸ PPARD Q03181 3/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ P2RX3 P56373 3/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ CHRM5 P08912 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ TAS1R3 Q7RTX0 2/20 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
SCHEMBL27733696 0.91 PTGS1 (0.40) PPARGPPARDPPARAMAPTGCGR
SCHEMBL27733800 0.89 FABP4 (0.40) PPARGPPARDPPARAP2RX3HSD11B1
SCHEMBL28775106 0.88 TRPV1 (0.34) PPARGPPARDPPARAHDAC3HDAC4
SCHEMBL27733699 0.88 DAGLA (0.35) PPARGPPARDPPARAMAPTPKM
SCHEMBL28770838 0.84 ALDH1A1 (0.35) PPARGPPARDPPARAMAPT
SCHEMBL27733852 0.84 PSEN1 (0.39) PPARGPPARDPPARAFABP4
SCHEMBL27713300 0.83 NOTUM (0.45) MAPT
SCHEMBL27733711 0.82 PPARG (0.41) PPARGPPARDPPARA
SCHEMBL27833766 0.81 PHGDH (0.38) PPARGPPARDPPARA
SCHEMBL27733841 0.79 F7 (0.36) PPARGPPARDPPARAP2RX3

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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