SCHEMBL4458061

SCHEMBL4458061

CCCc1cccc(P(=O)(OC2CCCCC2)OC2CCCCC2)c1CCC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
MTNR1A P48039 1/20 0.33
PPARG P37231 4/20 0.33
ACHE P22303 1/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
EPHX2 P34913 1/20 0.32
CARM1 Q86X55 2/20 0.31
PRMT1 Q99873 2/20 0.31

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
SCHEMBL4448724 0.93 MEN1 (0.31) MEN1KMT2A
SCHEMBL4454286 0.90 MEN1 (0.38) MEN1KMT2ANPSR1LMNAACHE
SCHEMBL4448582 0.88 KMT2A (0.36) MEN1KMT2ANPSR1LMNAACHE
SCHEMBL4458064 0.87 NPSR1 (0.37) MEN1KMT2ANPSR1LMNAMTNR1A
SCHEMBL4461969 0.85 KMT2A (0.38) MEN1KMT2ANPSR1LMNAMTNR1A
SCHEMBL4458037 0.83 PTGS2 (0.32) MEN1KMT2APPARGPPARA
SCHEMBL4456122 0.80 TSHR (0.39) MEN1KMT2ANPSR1LMNAACHE
SCHEMBL4458146 0.80 ADRA2A (0.35) MEN1KMT2ANPSR1PPARD
SCHEMBL4454572 0.80 CNR1 (0.39) MEN1KMT2ANPSR1LMNAACHE
SCHEMBL4448725 0.80 ALDH1A1 (0.32) MEN1KMT2A

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