SCHEMBL7601455

SCHEMBL7601455

CC1=C(c2cccc3ccccc23)c2c3cccc2C(C)(C)c2cccc4c2C(c2cccc5ccccc25)=C(C)C4[Zr](C)(C)C13

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
TDP2 O95551 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL7607482 0.84 HTR2A (0.31) SLC6A2SLC6A4SLC6A3MAPTHTR2A
SCHEMBL797800 0.83 TLR8 (0.32) DHFRKDM4EMAPTHTTHPGD
SCHEMBL7602791 0.81 HTR7 (0.36) DHFRSLC6A2SLC6A4SLC6A3KDM4E
Hydrochloric Acid SCHEMBL5616525 0.80 DHFR (0.35) DHFRCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7598615 0.80 DHFR (0.32) DHFR
SCHEMBL7599726 0.80 DHFR (0.32) DHFRCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7597026 0.77 DHFR (0.30) DHFR
SCHEMBL797420 0.74 TLR8 (0.30)
SCHEMBL7603358 0.73 MEN1 (0.38) KDM4EMAPTMAPK1HTTALDH1A1
SCHEMBL797402 0.73 CNR1 (0.32) MAPT

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
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed