SCHEMBL4448616

SCHEMBL4448616

CCCCc1ccccc1P(=O)(OCCC)OCCC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LIPG Q9Y5X9 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4451490 0.94 HIF1A (0.42) HIF1AGAA
SCHEMBL4458074 0.90 MEN1 (0.47) MEN1KMT2AHIF1AALDH1A1LMNA
SCHEMBL4452195 0.89 MEN1 (0.48) MEN1KMT2ALIPGTSHR
SCHEMBL4461987 0.87 HIF1A (0.42) MEN1KMT2AHIF1A
SCHEMBL4462717 0.86 MEN1 (0.50) MEN1KMT2AHIF1AALDH1A1LMNA
SCHEMBL4451487 0.86 MEN1 (0.38) MEN1KMT2AHIF1A
SCHEMBL4451779 0.83 LIPG (0.39) HIF1ALIPGTSHR
SCHEMBL4451785 0.83 CYP3A4 (0.44) MEN1KMT2AHIF1A
SCHEMBL8374437 0.83 LIPG (0.46) MEN1KMT2ALIPG
SCHEMBL4448581 0.80 CYP3A4 (0.38) HIF1AGAA

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