SCHEMBL4456101

SCHEMBL4456101

Cc1cccc(P(=O)(OC2CCCCC2)OC2CCCCC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 4/20 0.40
LMNA P02545 2/20 0.40
ACHE P22303 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 3/20 0.36
ALOX12 P18054 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
EPHX1 P07099 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL4462712 0.92 MAPT (0.39) MEN1KMT2ANPSR1LMNATAS1R3
SCHEMBL3893728 0.87 KMT2A (0.43) MEN1KMT2ANPSR1LMNAACHE
SCHEMBL4456105 0.85 MEN1 (0.43) MEN1KMT2ANPSR1LMNAACHE
SCHEMBL28662469 0.85 MEN1 (0.40) MEN1KMT2ANPSR1LMNAACHE
SCHEMBL4454953 0.78 MEN1 (0.33) MEN1KMT2ANPSR1ACHEMAPT
SCHEMBL4461969 0.78 KMT2A (0.38) MEN1KMT2ANPSR1LMNAACHE
SCHEMBL4462715 0.76 MAPT (0.37) MEN1KMT2ANPSR1LMNATAS1R3
SCHEMBL28662564 0.76 MEN1 (0.40) MEN1KMT2ANPSR1LMNAACHE
SCHEMBL4454286 0.76 MEN1 (0.38) MEN1KMT2ANPSR1LMNAACHE
SCHEMBL4456122 0.75 TSHR (0.39) MEN1KMT2ANPSR1LMNAACHE

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