SCHEMBL3869634

SCHEMBL3869634

C[C](C)C12CC3CC(CC(C#N)(C3)C1)C2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
THRB P10828 1/20 0.32
CNR2 P34972 1/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3871913 0.89 ALDH1A1 (0.34) ALDH1A1MAPTNPSR1THRBCNR2
SCHEMBL4887218 0.79 PKM (0.46) ALDH1A1MAPTNPSR1THRBLMNA
SCHEMBL14641099 0.79 PGR (0.32) CNR2
SCHEMBL4098563 0.79 ALDH1A1 (0.35) ALDH1A1MAPTNPSR1THRBLMNA
SCHEMBL3435247 0.74 TSHR (0.37) NPSR1CNR2LMNA
SCHEMBL16290409 0.74 PKM (0.47) ALDH1A1
SCHEMBL678337 0.71 HSD11B1 (0.49) ALDH1A1NPSR1THRBCNR2SMN1; SMN2
SCHEMBL12104275 0.70 PKM (0.42) ALDH1A1MAPTNPSR1THRBLMNA
SCHEMBL12104242 0.70 NPSR1 (0.40) ALDH1A1MAPTNPSR1THRBLMNA
SCHEMBL4034053 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1708728-B Radiation-sensitive resin composition JSR CORP 2011-03-16 CN disclosed
US-7638261-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-12-29 US disclosed
CN-101533224-A Radiation-sensitive resin composition JSR CORP (JP) 2009-09-16 CN disclosed
US-20090148790-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-06-11 US disclosed
US-7521169-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-04-21 US disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed
CN-1708728-A Radiation-sensitive resin composition JSR CORP (JP) 2005-12-14 CN disclosed
EP-1557718-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-07-27 EP disclosed
US-6677419-B1 REACTING STOICHIOMETRIC EXCESS OF UNSATURATED ALICYCLIC MONOMER WITH ANOTHER UNSATURATED MONOMER, HAVING LESS THAN TWO ELECTRON-WITHDRAWING GROUPS APPENDED TO UNSATURATION, IN PRESENCE OF FREE RADICAL INITIATOR INTERNATIONAL BUSINESS MACHINES CORPORATION 2004-01-13 US disclosed