SCHEMBL28111238

SCHEMBL28111238

O=C(OS(=O)(=O)c1ccc(F)cc1)C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 6/20 0.54
▸ ENPP2 Q13822 5/20 0.54
▸ ENPP1 P22413 4/20 0.54
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ EPHX2 P34913 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27732963 0.83 ENPP3 (0.55) ENPP3ENPP2ENPP1MAPTKMT2A
SCHEMBL5510733 0.81 ENPP3 (0.51) ENPP3ENPP2ENPP1MAPTKMT2A
SCHEMBL28074505 0.78 ENPP3 (0.40) ENPP3ENPP2ENPP1MAPTKMT2A
SCHEMBL9538667 0.78 ENPP3 (0.41) ENPP3ENPP2ENPP1MAPTKMT2A
SCHEMBL11248469 0.77 ALDH1A1 (0.50) ENPP3ENPP2ENPP1MAPTKMT2A
SCHEMBL27793994 0.76 MEN1 (0.46) ENPP3ENPP2ENPP1MAPTKMT2A
SCHEMBL14779304 0.74 ENPP3 (0.47) ENPP3ENPP2ENPP1KMT2AALDH1A1
SCHEMBL18007730 0.73 F2 (0.50) KMT2AALDH1A1MEN1
SCHEMBL14780378 0.73 ENPP3 (0.48) ENPP3ENPP2ENPP1KMT2AALDH1A1
SCHEMBL4774121 0.73 KMT2A (0.75) ENPP3ENPP2ENPP1MAPTKMT2A

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-106132931-B Carbocyclic ring sulfone ROR gamma modulators 百时美施贵宝公司 2019-08-02 — — CN disclosed
CN-106132931-A Carbocyclic ring sulfone ROR gamma modulators 百时美施贵宝公司 2016-11-16 — — CN disclosed
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