SCHEMBL8093005

SCHEMBL8093005

CC(C)CC1=CC(c2ccccc2)=C(CC(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 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
SCHEMBL8088069 0.67 TAAR1 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6250319 0.67 KDM4E (0.31) KDM4EALDH1A1HPGDMEN1POLB
SCHEMBL8079538 0.66 TP53 (0.33) HPGDSMN1; SMN2MAPTHTTL3MBTL1
SCHEMBL21694413 0.66 ACHE (0.49) MEN1KMT2A
SCHEMBL4630258 0.62 KMT2A (0.60) KMT2AADORA3ADORA2AADORA2BADORA1
SCHEMBL1335887 0.61 TAAR1 (0.50) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL28428374 0.59 KMT2A (0.52) KMT2AADORA3ADORA2AADORA2BADORA1
SCHEMBL8092992 0.59 TDP1 (0.31) KDM4EALDH1A1
SCHEMBL8088031 0.59 ALDH1A1 (0.35) ALDH1A1L3MBTL1
SCHEMBL23793237 0.59 DHODH (0.42) MEN1POLBMAPTKMT2AADORA2A

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