SCHEMBL7925302

SCHEMBL7925302

CCCCCC1=CCC(CCCCC)=C1CCCCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
BACE1 P56817 1/20 0.35
SCD O00767 1/20 0.35
HTR2A P28223 1/20 0.34
ALOX5 P09917 13/20 0.32
MPEG1 Q2M385 7/20 0.32
PTGS2 P35354 6/20 0.32
XIAP P98170 2/20 0.32
GPR84 Q9NQS5 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
PTGES O14684 1/20 0.32
USP2 O75604 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 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
SCHEMBL5339806 0.98 ACHE (0.38) ACHEBACE1SCDHTR2AALOX5
SCHEMBL5340473 0.98 ACHE (0.38) ACHEBACE1SCDHTR2AALOX5
SCHEMBL8951770 0.98 ACHE (0.38) ACHEBACE1SCDHTR2AALOX5
SCHEMBL5346709 0.98 ACHE (0.38) ACHEBACE1SCDHTR2AALOX5
SCHEMBL5345196 0.98 ACHE (0.38) ACHEBACE1SCDHTR2AALOX5
SCHEMBL8951759 0.98 ACHE (0.38) ACHEBACE1SCDHTR2AALOX5
SCHEMBL5365763 0.94
SCHEMBL6284022 0.94
Hydrochloric Acid SCHEMBL27760524 0.90
SCHEMBL27760426 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232516-B1 Process for cyclopentadiene substitution DSM N.V. (NL) 2001-05-15 US disclosed
US-6124488-A ACTIVE AS CATALYST COMPONENTS, IN PARTICULAR FOR THE POLYMERIZATION OF OLEFINS. DSM N.V. (NL) 2000-09-26 US disclosed
US-6072067-A Cyclopentadiene compound substituted with a hetero atom-containing group DSM N.V. (NL) 2000-06-06 US disclosed
EP-0805142-B1 Cyclopentadiene compound substituted with a hetero atom-containing group DSM NV (NL) 1999-03-24 EP disclosed
EP-0900192-A1 SYNTHESIS OF AN AMINE-CONTAINING CYCLOPENTADIENE DSM N.V. (NL) 1999-03-10 EP disclosed
EP-0900195-A1 CYCLOPENTADIENE COMPOUND SUBSTITUTED WITH BRANCHED ALKYL GROUPS DSM N.V. (NL) 1999-03-10 EP disclosed
EP-0805133-B1 Process for cyclopentadiene substitution DSM NV (NL) 1998-10-07 EP disclosed
WO-1997042199-A1 POLYSUBSTITUTED CYCLOPENTADIENE DSM N.V. (NL) 1997-11-13 WO disclosed
WO-1997042151-A1 CYCLOPENTADIENE COMPOUND SUBSTITUTED BY CHIRAL GROUPS DSM N.V. (NL) 1997-11-13 WO disclosed
WO-1997042162-A1 CYCLOPENTADIENE COMPOUND SUBSTITUTED WITH BRANCHED ALKYL GROUPS DSM N.V. (NL) 1997-11-13 WO disclosed
WO-1997042150-A1 CYCLOPENTADIENE COMPOUND SUBSTITUTED BY BRANCHED ALKYL GROUPS DSM N.V. (NL) 1997-11-13 WO disclosed
WO-1997042157-A1 SYNTHESIS OF AN AMINE-CONTAINING CYCLOPENTADIENE DSM N.V. (NL) 1997-11-13 WO disclosed
WO-1997042158-A1 SYNTHESIS OF A SUBSTITUTED CYCLOPENTADIENE COMPOUND DSM N.V. (NL) 1997-11-13 WO disclosed
EP-0805142-A1 Cyclopentadiene compound substituted with a hetero atom-containing group DSM N.V. (NL) 1997-11-05 EP disclosed
EP-0805133-A1 Process for cyclopentadiene substitution DSM N.V. (NL) 1997-11-05 EP disclosed