SCHEMBL5720742

SCHEMBL5720742

CCCCc1ccc(COc2ccc(C(=O)N[C@](C)(C(=O)O)C3CCCCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.50
▸ SLC6A5 Q9Y345 3/20 0.45
▸ NR4A2 P43354 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PLK1 P53350 1/20 0.42
▸ SMPD1 P17405 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL1122814 0.76 GPR132 (0.53) HRH3SLC6A5
SCHEMBL1122690 0.76 GPR132 (0.53) HRH3SLC6A5
SCHEMBL5720786 0.75 BDKRB2 (0.52) HRH3SLC6A5SENP8SENP7SENP6
SCHEMBL1123143 0.73 RXRA (0.72) HRH3NR4A2RXRARXRBNPC1
SCHEMBL1122538 0.73 BDKRB2 (0.50) HRH3RAB9APLK1
SCHEMBL1123094 0.71 NPC1 (0.70) HRH3RXRARXRBMEN1NPC1
SCHEMBL7738901 0.71 MAOB (0.68) HRH3RXRARXRBNPC1RAB9A
SCHEMBL10789890 0.70 RXRA (0.70) NR4A2RXRARXRBMEN1NPC1
SCHEMBL1123135 0.69 GPR132 (0.54) NPC1RAB9A
SCHEMBL24534839 0.69 PLK1 (0.59) MEN1NPC1RAB9AKMT2APLK1

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-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 — — EP claimed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 — — WO claimed
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