SCHEMBL8090896

SCHEMBL8090896

CCCCCCC1=C(C)C=C(C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.43
ACHE P22303 2/20 0.39
BACE1 P56817 1/20 0.39
ALOX5 P09917 9/20 0.35
MPEG1 Q2M385 7/20 0.35
XIAP P98170 2/20 0.35
GPR84 Q9NQS5 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
PTGES O14684 1/20 0.35
USP2 O75604 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 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
SCHEMBL8079504 0.92 SCD (0.33) SCDKDM4EHPGDMAPK1
SCHEMBL6283235 0.92 SCD (0.33) SCDKDM4EHPGDMAPK1
SCHEMBL2347946 0.73 SCD (0.52) SCDACHEKDM4EALDH1A1TP53
SCHEMBL10447691 0.73 SCD (0.52) SCDACHEKDM4EALDH1A1TP53
SCHEMBL11238492 0.73 SCD (0.68) SCDACHEKDM4EALDH1A1TP53
SCHEMBL7753696 0.73 SCD (0.68) SCDACHEKDM4EALDH1A1TP53
SCHEMBL8086688 0.72 ACHE (0.35) SCDACHEBACE1ALOX5MPEG1
SCHEMBL3802053 0.70 SCD (0.64) SCDACHEKDM4EALDH1A1TP53
SCHEMBL21854613 0.70 SCD (0.48) SCDACHEKDM4EALDH1A1TP53
SCHEMBL6907027 0.68 ACHE (0.39) SCDACHEBACE1KDM4EALDH1A1

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