SCHEMBL7545768

SCHEMBL7545768

CS(=O)(=O)OC[C@H]1CCCN1C(=O)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 3/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ DPP4 P27487 9/20 0.35
▸ FAP Q12884 5/20 0.35
▸ DPP7 Q9UHL4 4/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PREP P48147 1/20 0.35

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
SCHEMBL7541055 1.00 HCRTR2 (0.39) HCRTR2HRH3ALDH1A1ATMDPP4
SCHEMBL2546757 0.79 POLB (0.41) HCRTR2DPP4FAPNPC1RAB9A
SCHEMBL2788731 0.79 POLB (0.41) HCRTR2DPP4FAPNPC1RAB9A
SCHEMBL24067460 0.79 ALDH1A1 (0.48) HRH3ALDH1A1NPC1RAB9APOLB
SCHEMBL793131 0.79 POLB (0.41) HCRTR2DPP4FAPNPC1RAB9A
SCHEMBL7542669 0.79 SMN1; SMN2 (0.45) HCRTR2DPP4DPP7RAB9APOLB
SCHEMBL15653975 0.78 DAGLB (0.40) HCRTR2NPC1RAB9APOLBL3MBTL1
SCHEMBL3699146 0.78 DAGLB (0.40) HCRTR2NPC1RAB9APOLBL3MBTL1
SCHEMBL7542043 0.77 POLB (0.59) HRH3ALDH1A1DPP4POLBL3MBTL1
SCHEMBL7542036 0.77 POLB (0.59) HRH3ALDH1A1DPP4POLBL3MBTL1

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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