SCHEMBL4458064

SCHEMBL4458064

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
MTNR1A P48039 1/20 0.34
PPARG P37231 4/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
EPHX2 P34913 1/20 0.32
ACHE P22303 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PDE4D Q08499 1/20 0.31
ACP3 P15309 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
SCHEMBL4448725 0.94 ALDH1A1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL4454288 0.90 MEN1 (0.39) NPSR1MEN1KMT2ALMNAMTNR1A
SCHEMBL4458061 0.87 MEN1 (0.36) NPSR1MEN1KMT2ALMNAMTNR1A
SCHEMBL4461971 0.86 KMT2A (0.39) NPSR1MEN1KMT2ALMNAMTNR1A
SCHEMBL4458041 0.84 ALOX5 (0.33) MEN1KMT2APPARGPPARAALDH1A1
SCHEMBL4448724 0.80 MEN1 (0.31) MEN1KMT2A
SCHEMBL4458095 0.79 GABRA1 (0.34) NPSR1MEN1KMT2ALMNATSHR
SCHEMBL4462488 0.78 LTB4R (0.34) MEN1KMT2APPARDPPARATSHR
SCHEMBL4448582 0.78 KMT2A (0.36) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL4454286 0.78 MEN1 (0.38) NPSR1MEN1KMT2ALMNAGAA

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