SCHEMBL6611592

SCHEMBL6611592

CCOC(=O)/C=C(/CCCCCl)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ TARBP2 Q15633 1/20 0.35

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
SCHEMBL6611593 1.00 HDAC1 (0.39) HDAC1HDAC8HRH2HRH1MAPT
SCHEMBL6616648 0.91 MAOB (0.39) HRH2HRH1MAPTKMT2AHPGD
SCHEMBL6616653 0.91 MAOB (0.39) HRH2HRH1MAPTKMT2AHPGD
SCHEMBL6612381 0.89 SMN1; SMN2 (0.40) HRH2HRH1MAPTKMT2AHPGD
SCHEMBL6610529 0.89 SMN1; SMN2 (0.41) MAPTKMT2AHPGDALDH1A1MEN1
SCHEMBL6610527 0.89 SMN1; SMN2 (0.41) MAPTKMT2AHPGDALDH1A1MEN1
SCHEMBL6612378 0.89 SMN1; SMN2 (0.40) HRH2HRH1MAPTKMT2AHPGD
SCHEMBL6610154 0.88 MAPT (0.38) HRH2HRH1MAPTKMT2AHPGD
SCHEMBL6610157 0.88 MAPT (0.38) HRH2HRH1MAPTKMT2AHPGD
SCHEMBL6609674 0.80 MAOB (0.40) MAPTALDH1A1LMNAMAPK1POLB

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-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 — — EP disclosed
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