SCHEMBL8088039

SCHEMBL8088039

CCC=CCCC1=C(C)C=C(CC)C1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
OXER1 Q8TDS5 1/20 0.31

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
SCHEMBL8092907 0.82
SCHEMBL8086778 0.76 FFAR1 (0.31) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL8079512 0.73
SCHEMBL8092910 0.68
SCHEMBL8618421 0.65
SCHEMBL6060336 0.64 ALDH1A1 (0.32) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL6060425 0.64 ALDH1A1 (0.32) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL6253329 0.64
SCHEMBL8086741 0.64 ALDH1A1 (0.32) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL6060427 0.64 ALDH1A1 (0.32) FFAR1ALDH1A1MAPTCYP19A1RXRA

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