SCHEMBL27733824

SCHEMBL27733824

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ FABP4 P15090 1/20 0.35
▸ OGA O60502 3/20 0.35
▸ 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
▸ RORC P51449 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 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
SCHEMBL28775106 0.90 TRPV1 (0.34) TRPV1OGAHDAC3HDAC4HDAC1
SCHEMBL27733800 0.88 FABP4 (0.40) PTGS1PTGS2FABP4HDAC3HDAC4
SCHEMBL27733727 0.83 NOTUM (0.49) —
SCHEMBL28775092 0.79 AKR1C3 (0.39) PTGS2AKR1C3AKR1C2PPARGPPARA
SCHEMBL28775101 0.77 PPARG (0.43) OGAAKR1C3AKR1C2PPARGPPARA
SCHEMBL27733849 0.77 PPARG (0.36) FABP4HDAC3HDAC4HDAC1HDAC7
SCHEMBL27713303 0.77 POLB (0.36) TRPV1OGAAKR1C3AKR1C2PPARG
SCHEMBL27733656 0.77 PPARG (0.36) MAPTAKR1C3AKR1C2PPARGPPARA
SCHEMBL27713321 0.77 SCN4A (0.42) AKR1C3AKR1C2PPARGPPARA
Morpholine SCHEMBL27733752 0.76 PHGDH (0.34) TRPV1RORCPPARGPPARA

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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