SCHEMBL7807256

SCHEMBL7807256

CCC1=Cc2c(CC)cccc2C1[Zr](C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.34
GABRB2 P47870 3/20 0.34
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTT P42858 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
SCHEMBL7599686 0.85 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL7808030 0.83 GABRA1 (0.34) GABRA1GABRB2KDM4EMEN1MAPT
SCHEMBL7046351 0.83 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL7807191 0.78 BRD4 (0.32)
SCHEMBL27670352 0.76 ADORA3 (0.31)
SCHEMBL27670369 0.76 EDNRB (0.35) TDP1
SCHEMBL28411828 0.76 GABRA1 (0.36) GABRA1GABRB2KDM4EMEN1MAPT
SCHEMBL27524796 0.76 GABRA1 (0.36) GABRA1GABRB2KDM4EMEN1MAPT
SCHEMBL27543131 0.76 GABRA1 (0.36) GABRA1GABRB2KDM4EMEN1MAPT
SCHEMBL30108368 0.75 GABRA1 (0.35) GABRA1GABRB2KDM4EMEN1MAPT

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-20010007009-A1 Transition metal catalyzed polymerization of olefinic monomers in a water-containing polymerization medium BASF AKTIENGESELLSCHAFT (DE) 2001-07-05 US disclosed