SCHEMBL4564600

SCHEMBL4564600

Cc1ccc(OP(=O)(CCCCO)CCCCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 2/20 0.40
MMP13 P45452 1/20 0.40
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL4563939 0.95 CYP3A4 (0.52) TSHRCYP3A4MEN1KMT2ALMNA
SCHEMBL9556991 0.84 CYP3A4 (0.52) TSHRCYP3A4MEN1KMT2ALMNA
SCHEMBL4563900 0.83 SMN1; SMN2 (0.54) LMNAMAPTHPGD
SCHEMBL5494691 0.82 CYP3A4 (0.53) TSHRCYP3A4MEN1KMT2ALMNA
SCHEMBL4564647 0.82 SRC (0.48) MEN1KMT2AGAAL3MBTL1
SCHEMBL4564170 0.81 THRB (0.42) CYP3A4MEN1KMT2ALMNA
SCHEMBL4564981 0.80 S1PR1 (0.43) CYP3A4MEN1KMT2ALMNAHPGD
SCHEMBL5489069 0.79 CYP3A4 (0.50) TSHRCYP3A4MEN1KMT2ALMNA
SCHEMBL5489177 0.78 CYP3A4 (0.57) TSHRCYP3A4MEN1KMT2ALMNA
SCHEMBL4564589 0.78 SMN1; SMN2 (0.56) LMNAMAPTHPGD

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