SCHEMBL414361

SCHEMBL414361

O=C1C=CC(=O)C(CNc2ccc(C(=O)OC34CC5CC(CC(C5)C3)C4)cc2)=C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.58
SKP2 Q13309 2/20 0.58
HSP90AA1 P07900 2/20 0.58
SKP1 P63208 1/20 0.58
CYP19A1 P11511 3/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
EPHX2 P34913 3/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
SETD7 Q8WTS6 1/20 0.34
EGFR P00533 1/20 0.34
LMNA P02545 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL414270 0.85 CKS1B (0.59) CKS1BSKP2HSP90AA1SKP1CYP19A1
SCHEMBL412798 0.78 CYP19A1 (0.61) CYP19A1HPGDALDH1A1MEN1KMT2A
SCHEMBL411958 0.74 HSP90AA1 (0.53) HSP90AA1CYP19A1MAPK1ALDH1A1MEN1
SCHEMBL410106 0.74 CYP19A1 (0.47) CYP19A1HPGDALDH1A1CA1CA2
SCHEMBL29375858 0.73 HSP90AA1 (1.00) CKS1BSKP2HSP90AA1SKP1ALDH1A1
SCHEMBL182500 0.73 HSP90AA1 (1.00) CKS1BSKP2HSP90AA1SKP1ALDH1A1
SCHEMBL3804955 0.73 CKS1B (0.61) CKS1BSKP2HSP90AA1SKP1CYP19A1
SCHEMBL414360 0.72 EPHX2 (0.38) HPGDMAPK1RECQLEPHX2ALDH1A1
SCHEMBL414269 0.71 EGFR (0.38) CKS1BSKP2HSP90AA1SKP1EPHX2
SCHEMBL14431702 0.70 HSP90AA1 (0.77) CKS1BSKP2HSP90AA1SKP1CA1

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
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 WO disclosed