SCHEMBL7542043

SCHEMBL7542043

O=C(CC1CCCCC1)N1CCCC1CO

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ DPP4 P27487 3/20 0.44
▸ DPP8 Q6V1X1 2/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.42
▸ CHRM2 P08172 3/20 0.41
▸ CHRM4 P08173 3/20 0.41
▸ CHRM1 P11229 3/20 0.41
▸ CHRM3 P20309 3/20 0.41
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PREP P48147 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ EPHX2 P34913 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
SCHEMBL7542036 1.00 POLB (0.59) POLBL3MBTL1DPP4DPP8HRH3
SCHEMBL7546055 0.97 POLB (0.55) POLBL3MBTL1DPP4DPP8HRH3
SCHEMBL7545915 0.97 POLB (0.55) POLBL3MBTL1DPP4DPP8HRH3
SCHEMBL7545912 0.97 POLB (0.55) POLBL3MBTL1DPP4DPP8HRH3
SCHEMBL24067460 0.85 ALDH1A1 (0.48) POLBL3MBTL1HRH3KMT2AMEN1
SCHEMBL7546120 0.85 HRH3 (0.41) POLBL3MBTL1DPP4HRH3KMT2A
SCHEMBL7546114 0.85 HRH3 (0.41) POLBL3MBTL1DPP4HRH3KMT2A
SCHEMBL5046483 0.80 POLB (0.70) POLBL3MBTL1DPP4DPP8CHRM2
SCHEMBL3431498 0.80 POLB (0.70) POLBL3MBTL1DPP4DPP8CHRM2
SCHEMBL1712666 0.80 POLB (0.70) POLBL3MBTL1DPP4DPP8CHRM2

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
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