SCHEMBL20019642

SCHEMBL20019642

CCC(=O)c1ccc(S(=O)(=O)N2CC(CN(C)C)OC23CCNCC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ GSR P00390 2/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PKM P14618 1/20 0.30

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
SCHEMBL12623903 0.90 ALDH1A1 (0.45) ALDH1A1
SCHEMBL12623892 0.78 LMNA (0.46) ALDH1A1
SCHEMBL12621853 0.78 ALDH1A1 (0.48) ALDH1A1PKM
SCHEMBL17553231 0.77 LIMK2 (0.39) ALDH1A1PKM
SCHEMBL12626337 0.75 LSS (0.40) ALDH1A1CYP3A4
SCHEMBL12623927 0.74 CYP19A1 (0.37) ALDH1A1
SCHEMBL23159692 0.73 HSD11B1 (0.38) —
SCHEMBL12626325 0.72 LIMK2 (0.44) NAMPT
SCHEMBL23159719 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL12623893 0.69 ALDH1A1 (0.46) ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2918587-B1 Filamin A binding compounds and their use as anti-inflammatory and analgesic agents PAIN THERAPEUTICS INC (US) 2018-04-04 — — EP disclosed
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