SCHEMBL411957

SCHEMBL411957

CC(C)c1cc(NCC2=CC(=O)C=CC2=O)ccc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 4/20 0.35
NOX4 Q9NPH5 2/20 0.35
RGS12 O14924 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EGFR P00533 1/20 0.35
LCK P06239 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
KDM4C Q9H3R0 2/20 0.34
HIF1A Q16665 1/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CYP19A1 P11511 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PPARA Q07869 1/20 0.33
STING1 Q86WV6 1/20 0.33
CAMKK1 Q8N5S9 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
SCHEMBL412797 0.83 ALDH1A1 (0.38) CAMKK2NOX4RGS12ALDH1A1EGFR
SCHEMBL410105 0.81 NOX4 (0.36) CAMKK2NOX4RGS12ALDH1A1EGFR
SCHEMBL11242577 0.74 FFAR1 (0.50) ALDH1A1MAPTKDM4CHIF1APPARA
SCHEMBL411651 0.72 EGFR (0.43) NOX4ALDH1A1EGFRMAPTHIF1A
SCHEMBL414360 0.72 EPHX2 (0.38) ALDH1A1EGFRMAPT
SCHEMBL24074190 0.72 PLK1 (0.46) ACE2KDM4CLMNAMAOA
SCHEMBL462566 0.71 EGFR (0.47) CAMKK2NOX4RGS12ALDH1A1EGFR
SCHEMBL414269 0.71 EGFR (0.38) CAMKK2NOX4RGS12ALDH1A1EGFR
SCHEMBL411652 0.70 KDM4C (0.34) ALDH1A1MAPTKDM4CHIF1ALMNA
Hydrochloric Acid SCHEMBL7976840 0.69 KDM4E (0.51) CAMKK2ALDH1A1MAPTTDP1ACE2

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