SCHEMBL8090890

SCHEMBL8090890

CCCC1=C(Cc2ccccc2)C=C(CC)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
CALM1 P0DP23 1/20 0.34
ATM Q13315 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LTA4H P09960 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
SCHEMBL8087990 0.91 SIGMAR1 (0.35) TP53CALM1SIGMAR1
SCHEMBL8093021 0.88 TP53 (0.40) TP53CALM1ATMTAAR1LMNA
SCHEMBL8087972 0.83 TLR7 (0.36) CALM1SIGMAR1
SCHEMBL8086710 0.82 CALM1 (0.35) TP53CALM1ATMTAAR1LMNA
SCHEMBL8093000 0.81 SIGMAR1 (0.35) TP53CALM1TAAR1SIGMAR1L3MBTL1
SCHEMBL8092858 0.78 TP53 (0.40) TP53CALM1ATMTAAR1LMNA
SCHEMBL1028381 0.75 CALM1 (0.42) CALM1TAAR1LMNAALDH1A1LTA4H
SCHEMBL8079473 0.75 CALM1 (0.35) TP53CALM1ATMTAAR1SIGMAR1
SCHEMBL8092849 0.74 TP53 (0.36) TP53CALM1TAAR1LMNALTA4H
SCHEMBL8086770 0.71 TP53 (0.40) TP53CALM1TAAR1LMNAMAPT

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