SCHEMBL414270

SCHEMBL414270

O=C1C=CC(=O)C(CNc2ccc(C(=O)OCC34CC5CC(CC(C5)C3)C4)cc2)=C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.59
SKP2 Q13309 2/20 0.59
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
HSP90AA1 P07900 2/20 0.41
SKP1 P63208 1/20 0.41
CYP19A1 P11511 1/20 0.39
EGFR P00533 1/20 0.39
ALDH1A1 P00352 3/20 0.37
EPHX2 P34913 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
P2RX7 Q99572 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL414361 0.85 CKS1B (0.58) CKS1BSKP2HPGDMAPK1RECQL
SCHEMBL412798 0.76 CYP19A1 (0.61) HPGDCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL415185 0.74 CKS1B (1.00) CKS1BSKP2HSP90AA1SKP1EGFR
SCHEMBL414269 0.74 EGFR (0.38) CKS1BSKP2HSP90AA1SKP1EGFR
SCHEMBL414360 0.73 EPHX2 (0.38) HPGDMAPK1RECQLEGFRALDH1A1
SCHEMBL410106 0.72 CYP19A1 (0.47) HPGDCYP19A1EGFRALDH1A1L3MBTL1
SCHEMBL411958 0.72 HSP90AA1 (0.53) MAPK1HSP90AA1CYP19A1ALDH1A1MEN1
SCHEMBL14883096 0.71 CKS1B (0.54) CKS1BSKP2HPGDMAPK1RECQL
SCHEMBL2384475 0.69 HPGD (0.64) CKS1BSKP2HPGDMAPK1RECQL
SCHEMBL14316414 0.69 CKS1B (0.52) CKS1BSKP2HPGDMAPK1RECQL

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