SCHEMBL11137178

SCHEMBL11137178

CNC(=O)CCc1ccc(C(=O)CCCCCN)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.44
▸ THRB P10828 4/20 0.44
▸ HDAC1 Q13547 4/20 0.43
▸ HDAC8 Q9BY41 4/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ HSD17B3 P37058 5/20 0.42
▸ S1PR2 O95136 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ LPAR2 Q9HBW0 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL11132203 0.83 HDAC8 (0.46) THRATHRBHDAC1HDAC8DPP4
SCHEMBL11133284 0.82 HDAC3 (0.54) THRATHRBHDAC1HDAC8DPP4
SCHEMBL11134216 0.82 HDAC3 (0.54) THRATHRBHDAC1HDAC8DPP4
SCHEMBL11133258 0.82 DPP4 (0.46) THRATHRBHDAC1HDAC8DPP4
SCHEMBL11135374 0.82 DPP4 (0.46) THRATHRBHDAC1HDAC8DPP4
SCHEMBL11134102 0.82 HDAC3 (0.54) THRATHRBHDAC1HDAC8DPP4
SCHEMBL25944961 0.81 HDAC2 (0.48) HDAC1HDAC8MAPT
Hydrochloric Acid SCHEMBL11134492 0.81 HDAC3 (0.53) THRATHRBHDAC1HDAC8DPP4
SCHEMBL11264047 0.80 DPP4 (0.47) THRATHRBDPP4HSD17B3L3MBTL1
SCHEMBL11134116 0.80 L3MBTL1 (0.54) THRBHDAC1HDAC8DPP4L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044541-B1 AMINOCARBOXYLIC ACIDS, AMINO ALCOHOLS, OR THE DERIVATIVES THEREOF, PROCESSES FOR PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION, CONTAINING AT LEAST ONE OF THESE COMPOUNDS TEIJIN LIMITED (JP) 1983-09-21 — — EP disclosed
EP-0044541-A1 Aminocarboxylic acids, amino alcohols, or the derivatives thereof, processes for production thereof, and pharmaceutical composition, containing at least one of these compounds TEIJIN LIMITED (JP) 1982-01-27 — — EP disclosed
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