SCHEMBL27545786

SCHEMBL27545786

CC1(C)CCCC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 16/20 0.50
MAOA P21397 16/20 0.50
MAOB P27338 16/20 0.50
TRPA1 O75762 1/20 0.49
SLC18A3 Q16572 1/20 0.37

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
SCHEMBL8747222 0.87 KDM1A (0.54) KDM1AMAOAMAOBTRPA1
SCHEMBL754688 0.83 KDM1A (0.34) KDM1AMAOAMAOBTRPA1SLC18A3
SCHEMBL28020963 0.80 TRPA1 (0.54) KDM1AMAOAMAOBTRPA1SLC18A3
SCHEMBL23198894 0.80 LIG1 (0.46) KDM1AMAOB
SCHEMBL28514995 0.80 TRPA1 (0.36) KDM1AMAOAMAOBTRPA1
SCHEMBL317325 0.76 TRPA1 (0.46) KDM1AMAOAMAOBTRPA1SLC18A3
SCHEMBL20554906 0.76 KDM1A (0.43) KDM1AMAOAMAOBTRPA1
SCHEMBL8720464 0.75 KDM1A (0.41) KDM1AMAOAMAOBTRPA1
SCHEMBL4331068 0.75 KDM1A (0.67) KDM1AMAOAMAOB
SCHEMBL14652769 0.75 KDM1A (0.60) KDM1AMAOAMAOB

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
CN-1310929-C Cyclopentadienyl complexes with condensed heterocycles BASELL POLYOLEFINE GMBH (DE) 2007-04-18 CN disclosed
CN-1610689-A Cyclopentadienyl complexes with condensed heterocycles BASELL POLYOLEFINE GMBH (DE) 2005-04-27 CN disclosed