SCHEMBL20007864

SCHEMBL20007864

CC(C)Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 1/20 0.46
▸ MMP14 P50281 3/20 0.45
▸ MMP2 P08253 2/20 0.45
▸ MMP3 P08254 2/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ NR1H4 Q96RI1 1/20 0.44
▸ PTGES O14684 1/20 0.44
▸ ACACB O00763 1/20 0.44
▸ ACACA Q13085 1/20 0.44
▸ MMP1 P03956 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL18407080 1.00 PTPN5 (0.46) PTPN5MMP14MMP2MMP3MMP9
SCHEMBL10066694 0.96 MMP14 (0.48) PTPN5MMP14MMP2MMP3MMP9
SCHEMBL19382936 0.96 MMP14 (0.48) PTPN5MMP14MMP2MMP3MMP9
SCHEMBL19383057 0.91 MMP14 (0.45) PTPN5MMP14MMP2MMP3MMP9
SCHEMBL24795065 0.91 MMP14 (0.45) PTPN5MMP14MMP2MMP3MMP9
SCHEMBL17146887 0.91 NR1H4 (0.50) PTPN5MMP14MMP2MMP3MMP9
SCHEMBL26212824 0.89 ALDH1A1 (0.52) ALDH1A1NPC1MAPTHPGDMAPK1
SCHEMBL21891939 0.89 PTPN5 (0.44) PTPN5MMP14MMP2MMP3MMP9
SCHEMBL23255103 0.88 HTT (0.42) PTPN5MMP14MMP2MMP3MMP9
SCHEMBL20837008 0.88 RAB9A (0.53) PTPN5NR1H4PTGESACACBACACA

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-2843743-B1 Membrane electrode units for high temperature fuel cells with improved stability BASF SE (DE) 2018-03-28 — — EP disclosed
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