SCHEMBL7158711

SCHEMBL7158711

COC(=O)c1ccc(/C=C2\CCc3cc(OC)ccc3C2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 8/20 0.74
▸ CYP26A1 O43174 4/20 0.74
▸ ALDH1A1 P00352 3/20 0.67
▸ MAPT P10636 3/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ CYP19A1 P11511 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ ABCB1 P08183 1/20 0.64
▸ MAPK1 P28482 1/20 0.62
▸ BCHE P06276 1/20 0.60
▸ ACHE P22303 1/20 0.60
▸ MAOB P27338 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ CYP27A1 Q02318 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55

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
SCHEMBL2872982 1.00 MIF (0.74) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL22105147 0.88 MIF (0.72) MIFCYP26A1CYP19A1MAOB
SCHEMBL6958968 0.87 MIF (0.85) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29546448 0.86 MIF (0.72) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29013391 0.86 MIF (0.72) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29013394 0.86 MIF (0.72) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30449720 0.86 MIF (0.72) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14033508 0.85 MIF (0.81) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8548291 0.84 MAPT (0.66) MIFALDH1A1MAPTSMN1; SMN2CYP19A1
SCHEMBL8548289 0.84 MAPT (0.66) MIFALDH1A1MAPTSMN1; SMN2CYP19A1

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-6555709-B1 Derivatives of 4-(naphth-2-ylmethyl)-N-(2-methylphenyl) benzamide; storing crops (cotton and rice); insecticides; miticides; nematocides; molluscs; anthelmintics; acarina; textiles; foods HOECHST SCHERING AGREVO S.A. (FR) 2003-04-29 — — US disclosed
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