SCHEMBL7546055

SCHEMBL7546055

O=C(CC1CCCCC1)N1CCCC[C@H]1CO

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CHRM2 P08172 3/20 0.43
▸ CHRM4 P08173 3/20 0.43
▸ CHRM1 P11229 3/20 0.43
▸ CHRM3 P20309 3/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ DPP4 P27487 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL7545912 1.00 POLB (0.55) POLBL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL7545915 1.00 POLB (0.55) POLBL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL7542043 0.97 POLB (0.59) POLBL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL7542036 0.97 POLB (0.59) POLBL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL24067460 0.81 ALDH1A1 (0.48) POLBL3MBTL1HRH3KDM4EALDH1A1
SCHEMBL7546114 0.81 HRH3 (0.41) POLBL3MBTL1HRH3DPP4KDM4E
SCHEMBL7546120 0.81 HRH3 (0.41) POLBL3MBTL1HRH3DPP4KDM4E
SCHEMBL12975402 0.79 POLB (0.58) POLBL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL15808670 0.79 POLB (0.58) POLBL3MBTL1CHRM2CHRM4CHRM1
SCHEMBL23533074 0.78 L3MBTL1 (0.62) POLBL3MBTL1CHRM2CHRM4CHRM1

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
Send feedback