SCHEMBL4458074

SCHEMBL4458074

CCCOP(=O)(OCCC)c1ccccc1CCC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.35
PPARD Q03181 1/20 0.33

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
SCHEMBL4448616 0.90 MEN1 (0.45) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL4461987 0.90 HIF1A (0.42) MEN1KMT2AHIF1A
SCHEMBL4462717 0.89 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL4458096 0.88 MEN1 (0.50) MEN1KMT2AALDH1A1
SCHEMBL4454043 0.85 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL4451490 0.83 HIF1A (0.42) GAAHIF1A
SCHEMBL4446442 0.82 PPARD (0.35) MEN1KMT2AHIF1APPARD
SCHEMBL27869230 0.82 MEN1 (0.44) MEN1KMT2AALDH1A1PPARD
SCHEMBL4451785 0.79 CYP3A4 (0.44) MEN1KMT2AHIF1A
SCHEMBL3896503 0.79 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAGAA

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-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed