SCHEMBL4461971

SCHEMBL4461971

CCc1cccc(P(=O)(O)OC2CCCCC2)c1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ACHE P22303 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MTNR1A P48039 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 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
SCHEMBL4458095 0.93 GABRA1 (0.34) KMT2ANPSR1MEN1LMNATSHR
SCHEMBL4461969 0.86 KMT2A (0.38) KMT2ANPSR1MEN1LMNATSHR
SCHEMBL4458064 0.86 NPSR1 (0.37) KMT2ANPSR1MEN1LMNATSHR
SCHEMBL4454288 0.84 MEN1 (0.39) KMT2ANPSR1MEN1LMNAGAA
SCHEMBL4458091 0.79 MEN1 (0.33) KMT2AMEN1TSHRHSD17B10GABRA1
SCHEMBL4448725 0.78 ALDH1A1 (0.32) KMT2AMEN1ALDH1A1
SCHEMBL4458041 0.76 ALOX5 (0.33) KMT2AMEN1ALDH1A1
SCHEMBL4448728 0.76 GABRA1 (0.39) KMT2AMEN1LMNATSHRKDM4E
SCHEMBL4456105 0.76 MEN1 (0.43) KMT2ANPSR1MEN1LMNATSHR
SCHEMBL4456122 0.76 TSHR (0.39) KMT2ANPSR1MEN1LMNATSHR

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