SCHEMBL4454080

SCHEMBL4454080

CCc1ccccc1OP(=O)(O)C(C=O)C=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SRC P12931 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR2A P28223 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PTK2B Q14289 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL4454130 0.90 THRA (0.37) SRCHTR2A
SCHEMBL4446576 0.87 THRA (0.44) TSHR
SCHEMBL4446490 0.81 SRC (0.41) MAPTSRCNPSR1
SCHEMBL2150397 0.78 L3MBTL1 (0.47) MAPTL3MBTL1SRCNPSR1TSHR
SCHEMBL31741554 0.78 L3MBTL1 (0.47) MAPTL3MBTL1SRCNPSR1TSHR
SCHEMBL29647909 0.78 INPPL1 (0.53) MAPTL3MBTL1SRCNPSR1TSHR
SCHEMBL1101447 0.78 INPPL1 (0.53) MAPTL3MBTL1SRCNPSR1TSHR
SCHEMBL778837 0.76 SMN1; SMN2 (0.49) MAPTL3MBTL1SRCNPSR1TSHR
SCHEMBL4451647 0.75 L3MBTL1 (0.41) MAPTL3MBTL1SRCNPSR1TSHR
SCHEMBL5852168 0.75 L3MBTL1 (0.44) MAPTL3MBTL1SRCNPSR1TSHR

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