SCHEMBL414269

SCHEMBL414269

O=C1C=CC(=O)C(CNc2ccc(C(=O)O)c(CC34CC5CC(CC(C5)C3)C4)c2)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
EPHX2 P34913 3/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
CKS1B P61024 2/20 0.36
SKP2 Q13309 2/20 0.36
P2RX7 Q99572 5/20 0.34
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
HSP90AA1 P07900 1/20 0.33
SKP1 P63208 1/20 0.33
RGS12 O14924 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LCK P06239 1/20 0.33
MAPT P10636 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL414360 0.83 EPHX2 (0.38) EGFREPHX2KDM5AKDM5BALDH1A1
SCHEMBL415184 0.78 EGFR (0.62) EGFRCKS1BSKP2HSP90AA1SKP1
SCHEMBL414270 0.74 CKS1B (0.59) EGFREPHX2CKS1BSKP2P2RX7
SCHEMBL412797 0.74 ALDH1A1 (0.38) EGFRRGS12ALDH1A1LCKMAPT
SCHEMBL410105 0.72 NOX4 (0.36) EGFREPHX2RGS12ALDH1A1LCK
SCHEMBL411957 0.71 CAMKK2 (0.35) EGFRRGS12ALDH1A1LCKMAPT
SCHEMBL8740875 0.67 P2RX7 (0.49) KDM5AKDM5BP2RX7MEN1KMT2A
SCHEMBL27759391 0.67 RARB (0.46) EPHX2KDM5AKDM5BP2RX7ALDH1A1
SCHEMBL411651 0.64 EGFR (0.43) EGFRALDH1A1MAPTNOX4MEN1
SCHEMBL411652 0.62 KDM4C (0.34) FABP4ALDH1A1MAPTMEN1KMT2A

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