SCHEMBL280526

SCHEMBL280526

COC(=O)[C@]1(C)CCC[C@]2(C)C1CCCC21OCCO1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
SOD1 P00441 1/20 0.39
ATM Q13315 1/20 0.38
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLA1 P09884 2/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 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
SCHEMBL280269 1.00 MEN1 (0.40) MEN1KMT2APOLBSOD1ATM
SCHEMBL14401278 0.75 MEN1 (0.43) MEN1KMT2APOLBSOD1ATM
SCHEMBL12704658 0.74 SOD1 (0.40) MEN1KMT2APOLBSOD1ATM
SCHEMBL280136 0.74 SOD1 (0.40) MEN1KMT2APOLBSOD1ATM
SCHEMBL12522489 0.74 HSP90AA1 (0.41) MEN1KMT2APOLBSOD1ATM
SCHEMBL280131 0.74 HSP90AA1 (0.41) MEN1KMT2APOLBSOD1ATM
SCHEMBL280322 0.74 SOD1 (0.40) MEN1KMT2APOLBSOD1ATM
SCHEMBL6009568 0.74 HSP90AA1 (0.41) MEN1KMT2APOLBSOD1ATM
SCHEMBL279974 0.74 SOD1 (0.40) MEN1KMT2APOLBSOD1ATM
SCHEMBL12872356 0.74 SOD1 (0.40) MEN1KMT2APOLBSOD1ATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133915-B2 Interleukin-1 and tumor necrosis factor-α modulators; syntheses of such modulators and methods of using such modulators NEREUS PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed