SCHEMBL415184

SCHEMBL415184

O=C(O)c1ccc(NCc2cc(O)ccc2O)cc1CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.62
RGS12 O14924 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LCK P06239 1/20 0.60
MAPT P10636 1/20 0.60
CAMKK2 Q96RR4 1/20 0.60
NOX4 Q9NPH5 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CKS1B P61024 2/20 0.59
SKP2 Q13309 2/20 0.59
HSP90AA1 P07900 1/20 0.56
SKP1 P63208 1/20 0.56
PTGS2 P35354 2/20 0.47
SYK P43405 1/20 0.47
ALOX5 P09917 1/20 0.46

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
SCHEMBL415186 0.81 EGFR (0.60) EGFRRGS12ALDH1A1LCKMAPT
SCHEMBL414269 0.78 EGFR (0.38) EGFRRGS12ALDH1A1LCKMAPT
SCHEMBL7809216 0.78 EGFR (0.81) EGFRRGS12ALDH1A1LCKMAPT
Lavendustin C SCHEMBL1821516 0.76 EGFR (1.00) EGFRRGS12ALDH1A1LCKMAPT
Lavendustin C SCHEMBL30569227 0.76 EGFR (1.00) EGFRRGS12ALDH1A1LCKMAPT
Adamantane SCHEMBL27774428 0.76 HSP90AA1 (0.66) EGFRRGS12ALDH1A1LCKMAPT
SCHEMBL415185 0.74 CKS1B (1.00) EGFRRGS12ALDH1A1LCKMAPT
SCHEMBL1705430 0.74 EGFR (0.75) EGFRRGS12ALDH1A1LCKMAPT
SCHEMBL16279523 0.73 CKS1B (0.81) EGFRCKS1BSKP2HSP90AA1SKP1
SCHEMBL15536091 0.73 HSP90AA1 (0.68) EGFRRGS12ALDH1A1LCKMAPT

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