SCHEMBL8079538

SCHEMBL8079538

CCC1=CC(c2ccccc2)=C(C)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 2/20 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
SCHEMBL8616065 0.79 TP53 (0.32) TP53L3MBTL1HPGDSMN1; SMN2
SCHEMBL8088031 0.75 ALDH1A1 (0.35) L3MBTL1TSHR
SCHEMBL6285473 0.68
SCHEMBL6407526 0.65 ALDH1A1 (0.34) L3MBTL1SMN1; SMN2TSHR
SCHEMBL20722299 0.65 ALDH1A1 (0.42) L3MBTL1TSHR
SCHEMBL1583270 0.65 DPP4 (0.39)
SCHEMBL8087970 0.65 HSD11B1 (0.36) TSHR
SCHEMBL6251775 0.63 TP53 (0.34) TP53L3MBTL1
SCHEMBL8090987 0.61 TP53 (0.36) TP53L3MBTL1HPGDSMN1; SMN2TSHR
SCHEMBL8079539 0.61

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