SCHEMBL7864168

SCHEMBL7864168

Cc1cccc(O[Zr](Cl)(Cl)Cl)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HTR1B P28222 1/20 0.43
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KEAP1 Q14145 1/20 0.39
POLB P06746 1/20 0.39
TRPA1 O75762 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DHFR P00374 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7591591 0.82 TSHR (0.43) CYP1A2CYP2C19CYP2D6KDM4EMEN1
SCHEMBL9244524 0.77 TSHR (0.39) CYP1A2CYP2C19CYP2D6KDM4EMEN1
SCHEMBL11360852 0.75 MAPT (0.50) MAPTHTR1BCYP1A2CYP2C19L3MBTL1
SCHEMBL1538371 0.74 MAPT (0.54) MAPTHTR1BCYP1A2CYP2C19L3MBTL1
SCHEMBL29377898 0.74 MAPT (0.54) MAPTHTR1BCYP1A2CYP2C19L3MBTL1
SCHEMBL6035270 0.74 MAPT (0.54) MAPTHTR1BCYP1A2CYP2C19L3MBTL1
SCHEMBL78554 0.72 CA1 (0.52) MAPTHTR1BCYP1A2CYP2C19L3MBTL1
SCHEMBL28575044 0.72 CA1 (0.52) MAPTHTR1BCYP1A2CYP2C19L3MBTL1
SCHEMBL29352478 0.72 CA1 (0.52) MAPTHTR1BCYP1A2CYP2C19L3MBTL1
SCHEMBL147382 0.71 MAPT (0.47) MAPTHTR1BCYP1A2CYP2C19L3MBTL1

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
EP-0504418-B2 PROCESS FOR PRODUCING CYCLOOLEFIN POLYMER AND CYCLOOLEFIN COPOLYMERS IDEMITSU KOSAN CO (JP) 2001-06-13 EP disclosed