SCHEMBL13353152

SCHEMBL13353152

C=C1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.52
▸ NPC1 O15118 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ PKLR P30613 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HCRTR1 O43613 2/20 0.45
▸ HCRTR2 O43614 2/20 0.45
▸ HTT P42858 1/20 0.44

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
SCHEMBL12621923 0.88 L3MBTL1 (0.78) L3MBTL1ALDH1A1NPC1PKMPKLR
SCHEMBL12623925 0.88 L3MBTL1 (0.67) L3MBTL1ALDH1A1NPC1PKMPKLR
SCHEMBL18133264 0.86 L3MBTL1 (0.66) L3MBTL1ALDH1A1NPC1PKMPKLR
SCHEMBL12623987 0.85 L3MBTL1 (0.65) L3MBTL1ALDH1A1NPC1PKMPKLR
SCHEMBL12623954 0.84 L3MBTL1 (0.64) L3MBTL1ALDH1A1NPC1PKMPKLR
SCHEMBL12623952 0.84 L3MBTL1 (0.63) L3MBTL1ALDH1A1NPC1PKMPKLR
SCHEMBL12623944 0.83 L3MBTL1 (0.59) L3MBTL1ALDH1A1NPC1PKMPKLR
SCHEMBL12626207 0.82 L3MBTL1 (0.61) L3MBTL1ALDH1A1
SCHEMBL12655726 0.81 L3MBTL1 (0.60) L3MBTL1ALDH1A1KDM4EHCRTR1HCRTR2
SCHEMBL23159676 0.81 L3MBTL1 (0.60) L3MBTL1ALDH1A1NPC1PKMPKLR

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
WO-2010051476-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS, INC. (US) 2010-05-06 — — WO disclosed
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