SCHEMBL7699112

SCHEMBL7699112

COP(=O)(CC(=O)C1(CCCc2ccccc2)CCC1)OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
PKM P14618 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 9/20 0.41
MEN1 O00255 8/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPY1R P25929 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38

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
SCHEMBL4944673 0.78 CYP4F2 (0.36)
SCHEMBL11717601 0.77 CYP4F2 (0.39)
SCHEMBL960407 0.76 CYP4F2 (0.38)
SCHEMBL10802478 0.76 CYP4F2 (0.40) KMT2AMEN1
SCHEMBL11623254 0.73 AKR1C1 (0.47) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL9585875 0.72 CYP4F2 (0.57) ALDH1A1LMNAPOLBPKMMAPT
SCHEMBL3975163 0.72 MAPT (0.51) LMNAMAPT
SCHEMBL18342997 0.71 LMNA (0.46) ALDH1A1LMNAPOLBPKMMAPT
SCHEMBL27611958 0.70 LMNA (0.69) ALDH1A1LMNAPOLBPKMMAPT
SCHEMBL21501013 0.70 HDAC3 (0.50) ALDH1A1LMNAPOLBPKMMAPT

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-6340706-B1 ANTIINFLAMMATORY, ANTIALLERGIC AND ANTIPROLIFERATIVE AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-01-22 US disclosed