SCHEMBL8092858

SCHEMBL8092858

CCC1=CC(Cc2ccccc2)=C(C)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
CALM1 P0DP23 1/20 0.38
LTA4H P09960 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
HTR2C P28335 1/20 0.31
SORT1 Q99523 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL17428877 0.84 TSHR (0.39) CALM1LTA4HMAPTHTR2CLMNA
SCHEMBL8093021 0.82 TP53 (0.40) TP53CALM1LTA4HKDM4ECYP3A4
SCHEMBL8092849 0.78 TP53 (0.36) TP53CALM1LTA4HLMNATAAR1
SCHEMBL8090890 0.78 TP53 (0.36) TP53CALM1LTA4HMAPTSIGMAR1
SCHEMBL8093000 0.76 SIGMAR1 (0.35) TP53CALM1SIGMAR1TAAR1MAOA
SCHEMBL8087990 0.76 SIGMAR1 (0.35) TP53CALM1SIGMAR1
SCHEMBL8086770 0.71 TP53 (0.40) TP53CALM1LTA4HKDM4ECYP3A4
SCHEMBL8079538 0.70 TP53 (0.33) TP53MAPT
SCHEMBL1028381 0.68 CALM1 (0.42) CALM1LTA4HHTR2CSORT1LMNA
SCHEMBL2236963 0.68 CALM1 (0.38) TP53CALM1LTA4HKDM4ECYP3A4

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-6046346-A Production of alkali metal cyclopentadienylide and production of dihalobis (η-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-04 US disclosed
EP-0926150-A2 Production of alkali metal cyclopentadienylide and production of dihalobis(eta-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide Honshu Chemical Industry Co. Ltd. (JP) 1999-06-30 EP disclosed