SCHEMBL414360

SCHEMBL414360

O=C1C=CC(=O)C(CNc2ccc(C(=O)O)c(C34CC5CC(CC(C5)C3)C4)c2)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
RARB P10826 4/20 0.35
RARG P13631 4/20 0.35
RARA P10276 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
NR2E1 Q9Y466 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
SCHEMBL414269 0.83 EGFR (0.38) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL410105 0.73 NOX4 (0.36) EPHX2ALDH1A1MAPTEGFR
SCHEMBL414270 0.73 CKS1B (0.59) EPHX2MEN1KMT2AALDH1A1HPGD
SCHEMBL411957 0.72 CAMKK2 (0.35) ALDH1A1MAPTEGFR
SCHEMBL5834424 0.69 RARG (0.56) RARBRARGRARAMEN1KMT2A
SCHEMBL6368048 0.68 ALDH1A1 (0.46) EPHX2RARBRARGRARAMEN1
SCHEMBL411651 0.65 EGFR (0.43) MEN1KMT2AALDH1A1MAPTALOX15
SCHEMBL6878528 0.65 KMT2A (0.51) EPHX2RARBRARGRARAMEN1
SCHEMBL18040211 0.65 RARB (0.45) EPHX2RARBRARGRARAMEN1
SCHEMBL5475249 0.64 KDM4E (0.53) EPHX2RARBRARGRARAMEN1

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