SCHEMBL7052527

SCHEMBL7052527

C=C(C)C(=O)OCCCOP(=O)(O)Oc1ccc(OCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 2/20 0.41
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.39
P2RY10 O00398 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PLK1 P53350 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6234773 0.88 POLB (0.46) POLBTDP1APEX1HTTTSHR
SCHEMBL2470935 0.82 POLB (0.52) POLBTDP1APEX1HTTTSHR
SCHEMBL10728057 0.82 POLB (0.60) POLBTDP1APEX1HTTTSHR
SCHEMBL345074 0.80 POLB (0.42) POLBTDP1APEX1HTTTSHR
SCHEMBL10734333 0.79 HTT (0.64) POLBTDP1APEX1HTTTSHR
SCHEMBL28066767 0.79 TSHR (0.62) POLBTDP1APEX1HTTTSHR
SCHEMBL15412 0.78 TSHR (0.55) POLBTDP1APEX1HTTTSHR
SCHEMBL105672 0.78 ALDH1A1 (0.49) POLBTDP1APEX1HTTTSHR
SCHEMBL7052523 0.78 NPSR1 (0.39) TDP1ALDH1A1NPC1RAB9ALMNA
SCHEMBL5270751 0.78 POLB (0.47) POLBTDP1APEX1HTTTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030055123-A1 Dental cement composition KURARAY CO. LTD, (JP) 2003-03-20 US disclosed