SCHEMBL6530164

SCHEMBL6530164

CCC(=O)Oc1cccc(C#CCn2cc(C)nc2-c2ccccc2)c1Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.34
RXFP1 Q9HBX9 5/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARA Q07869 3/20 0.33
RAB9A P51151 2/20 0.33
GLA P06280 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 2/20 0.32
PAX8 Q06710 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL6508934 0.79 KMT2A (0.33) PPARGALDH1A1MAPTKMT2APAX8
SCHEMBL6533898 0.76 ALDH1A1 (0.41) ALDH1A1POLBMAPTTP53KMT2A
SCHEMBL6527308 0.66 CYP4F2 (0.39) ALDH1A1
SCHEMBL1683548 0.64 ELANE (0.62) ALDH1A1TDP1RAB9AMAPTKMT2A
SCHEMBL6509824 0.64 CYP4F2 (0.34) PPARGRXFP1ALDH1A1NPC1SMN1; SMN2
SCHEMBL6528870 0.63 NOTUM (0.39) ALDH1A1NPC1SMN1; SMN2POLBTDP1
SCHEMBL4068968 0.63 PPARG (0.56) PPARGPPARA
SCHEMBL27485334 0.63 ELANE (0.55) ALDH1A1TDP1RAB9AMAPTKMT2A
SCHEMBL2785015 0.62 MEN1 (0.47) PPARGALDH1A1NPC1TDP1NPSR1
SCHEMBL6528105 0.61 PPARA (0.40) PPARGPPARA

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
WO-2005056536-A1 ANTIDIABETIC AGENTS WHICH EXHIBIT ACTIVITY AGAINST PPAR RANBAXY LABORATORIES LIMITED (IN) 2005-06-23 WO disclosed