SCHEMBL415185

SCHEMBL415185

O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccc(NCc2cc(O)ccc2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 1.00
SKP2 Q13309 2/20 1.00
HSP90AA1 P07900 4/20 0.74
SKP1 P63208 1/20 0.74
EGFR P00533 12/20 0.64
HKDC1 Q2TB90 1/20 0.61
SYK P43405 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
RGS12 O14924 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LCK P06239 1/20 0.46
MAPT P10636 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
NOX4 Q9NPH5 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL16279523 0.90 CKS1B (0.81) CKS1BSKP2HSP90AA1SKP1EGFR
SCHEMBL182500 0.85 HSP90AA1 (1.00) CKS1BSKP2HSP90AA1SKP1EGFR
SCHEMBL29375858 0.85 HSP90AA1 (1.00) CKS1BSKP2HSP90AA1SKP1EGFR
SCHEMBL15536091 0.79 HSP90AA1 (0.68) CKS1BSKP2HSP90AA1SKP1EGFR
SCHEMBL182501 0.78 HSP90AA1 (0.67) CKS1BSKP2HSP90AA1SKP1EGFR
Adamantane SCHEMBL27774428 0.78 HSP90AA1 (0.66) CKS1BSKP2HSP90AA1SKP1EGFR
SCHEMBL5794016 0.76 HKDC1 (1.00) CKS1BSKP2HSP90AA1SKP1EGFR
SCHEMBL415184 0.74 EGFR (0.62) CKS1BSKP2HSP90AA1SKP1EGFR
SCHEMBL414270 0.74 CKS1B (0.59) CKS1BSKP2HSP90AA1SKP1EGFR
SCHEMBL27669673 0.74 HSP90AA1 (0.60) CKS1BSKP2HSP90AA1SKP1EGFR

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