SCHEMBL7546120

SCHEMBL7546120

O=C(CC1CCCCC1)N1CCCC1CBr

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ EPHX1 P07099 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PREP P48147 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ DPP4 P27487 4/20 0.34
▸ FAP Q12884 4/20 0.34
▸ DPP7 Q9UHL4 4/20 0.34

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
SCHEMBL7546114 1.00 HRH3 (0.41) HRH3POLBL3MBTL1EPHX1HPGD
SCHEMBL7542036 0.85 POLB (0.59) HRH3POLBL3MBTL1EPHX1HPGD
SCHEMBL7542043 0.85 POLB (0.59) HRH3POLBL3MBTL1EPHX1HPGD
SCHEMBL24067460 0.83 ALDH1A1 (0.48) HRH3POLBL3MBTL1HPGDKMT2A
SCHEMBL7545915 0.81 POLB (0.55) HRH3POLBL3MBTL1EPHX1HPGD
SCHEMBL7545912 0.81 POLB (0.55) HRH3POLBL3MBTL1EPHX1HPGD
SCHEMBL7546055 0.81 POLB (0.55) HRH3POLBL3MBTL1EPHX1HPGD
SCHEMBL7545768 0.76 HCRTR2 (0.39) HRH3POLBL3MBTL1PREPALDH1A1
SCHEMBL7541055 0.76 HCRTR2 (0.39) HRH3POLBL3MBTL1PREPALDH1A1
SCHEMBL20038765 0.76 EPHX1 (0.38) HRH3EPHX1HPGDKMT2APREP

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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