SCHEMBL4454286

SCHEMBL4454286

CCCCc1cccc(P(=O)(OC2CCCCC2)OC2CCCCC2)c1CCCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 3/20 0.37
LMNA P02545 1/20 0.37
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
BCHE P06276 2/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
NAAA Q02083 1/20 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
SCHEMBL4458037 0.94 PTGS2 (0.32) MEN1KMT2ACNR1CNR2
SCHEMBL4458061 0.90 MEN1 (0.36) MEN1KMT2ANPSR1LMNAGAA
SCHEMBL4454572 0.88 CNR1 (0.39) MEN1KMT2ANPSR1LMNACNR1
SCHEMBL4454288 0.88 MEN1 (0.39) MEN1KMT2ANPSR1LMNACNR1
SCHEMBL4461969 0.83 KMT2A (0.38) MEN1KMT2ANPSR1LMNAGAA
SCHEMBL4448724 0.83 MEN1 (0.31) MEN1KMT2A
SCHEMBL4456055 0.81 LIPG (0.34) CNR1CNR2
SCHEMBL4458041 0.81 ALOX5 (0.33) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL4448582 0.80 KMT2A (0.36) MEN1KMT2ANPSR1LMNACNR1
SCHEMBL4456122 0.78 TSHR (0.39) MEN1KMT2ANPSR1LMNAGAA

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