SCHEMBL6253565

SCHEMBL6253565

CCCC1=CC(Cc2ccccc2)=CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.37
TP53 P04637 1/20 0.34
SIGMAR1 Q99720 4/20 0.33
TAAR1 Q96RJ0 3/20 0.33
AOC3 Q16853 2/20 0.33
ATM Q13315 1/20 0.33
LTA4H P09960 1/20 0.33
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC18A2 Q05940 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
SCHEMBL6253556 0.90 SIGMAR1 (0.37) CALM1SIGMAR1LTA4HMEN1KMT2A
SCHEMBL6253344 0.86 TAAR1 (0.37) TP53SIGMAR1TAAR1AOC3MEN1
SCHEMBL6250272 0.86 TP53 (0.41) CALM1TP53SIGMAR1TAAR1ATM
SCHEMBL1028776 0.83 CALM1 (0.44) CALM1SIGMAR1TAAR1LTA4HSLC18A2
SCHEMBL6255606 0.78 SIGMAR1 (0.42) CALM1SIGMAR1TAAR1MEN1RAB9A
SCHEMBL6053802 0.77
SCHEMBL6250606 0.77
SCHEMBL6251692 0.77 SIGMAR1 (0.40) SIGMAR1KMT2A
SCHEMBL6251956 0.74 CALM1 (0.42) CALM1TP53SIGMAR1TAAR1ATM
SCHEMBL6253082 0.74 TP53 (0.40) TP53SIGMAR1TAAR1AOC3ATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0926150-B1 Production of alkali metal cyclopentadienylides and production of dihalobis(eta-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylides HONSHU CHEMICAL IND (JP) 2005-09-07 EP disclosed
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