SCHEMBL6609725

SCHEMBL6609725

CCOC(=O)/C=C(/CCCCCl)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.39
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL6609730 1.00 MAOB (0.39) MAOBHPGDMAPK1SMN1; SMN2HRH2
SCHEMBL6610157 0.91 MAPT (0.38) MAOBHPGDMAPK1SMN1; SMN2HRH2
SCHEMBL6610154 0.91 MAPT (0.38) MAOBHPGDMAPK1SMN1; SMN2HRH2
SCHEMBL6609674 0.89 MAOB (0.40) MAOBMAPK1SMN1; SMN2MAPTLMNA
SCHEMBL6609669 0.89 MAOB (0.40) MAOBMAPK1SMN1; SMN2MAPTLMNA
SCHEMBL6616648 0.88 MAOB (0.39) MAOBHPGDMAPK1SMN1; SMN2HRH2
SCHEMBL6616653 0.88 MAOB (0.39) MAOBHPGDMAPK1SMN1; SMN2HRH2
SCHEMBL27572351 0.81 LTA4H (0.39) MAOBSMN1; SMN2LTA4HPTGS1PTGS2
SCHEMBL7568322 0.80 HTR7 (0.45) MAOBSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7568325 0.80 HTR7 (0.45) MAOBSMN1; SMN2MAPTKMT2AMEN1

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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