SCHEMBL11872145

SCHEMBL11872145

C=CCN(CC=C)C(=O)Oc1cccc(NC(=O)/C=C/C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.48
▸ MTNR1B P49286 1/20 0.48
▸ MMP1 P03956 4/20 0.46
▸ MMP2 P08253 4/20 0.46
▸ MMP9 P14780 4/20 0.46
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TRPV1 Q8NER1 3/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ LMNA P02545 2/20 0.43

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
SCHEMBL11872150 1.00 MTNR1A (0.48) MTNR1AMTNR1BMMP1MMP2MMP9
SCHEMBL11876359 0.88 TGM2 (0.49) MMP1MMP2MMP9GAA
SCHEMBL11878189 0.85 MAPT (0.49) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL11862773 0.82 TDP1 (0.49) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL11426159 0.81 HPGD (0.50) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL11863218 0.80 MTNR1A (0.49) MTNR1AMTNR1BMMP1MMP2MMP9
SCHEMBL11863225 0.80 MTNR1A (0.49) MTNR1AMTNR1BMMP1MMP2MMP9
SCHEMBL11870642 0.79 MAOB (0.39) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL11865175 0.79 MAOB (0.53) MTNR1AMTNR1BMMP1MMP2MMP9
SCHEMBL11865183 0.79 MAOB (0.53) MTNR1AMTNR1BMMP1MMP2MMP9

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
US-3979202-A Meta-bifunctional benzenes and herbicidal compositions MONSANTO COMPANY (US) 1976-09-07 — — US disclosed
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