SCHEMBL11250226

SCHEMBL11250226

CCOOP(=O)(Cc1ccc(P(=O)(OCC)OCC)cc1)OOCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
NPY5R Q15761 1/20 0.33
AOX1 Q06278 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL9515262 0.86 POLB (0.42) POLBTDP1LTA4HEPHX2HTR2A
SCHEMBL10964364 0.86 ENPP2 (0.35) POLBNPSR1NPY5RCCNT1CDK9
SCHEMBL9181309 0.81 ENPP2 (0.33) POLBNPY5RCCNT1CDK9HDAC1
SCHEMBL6829825 0.78 TDP1 (0.49) POLBTDP1LTA4HEPHX2HTR2A
SCHEMBL11249752 0.78 ALDH1A1 (0.36) POLBTDP1EPHX2MEN1KMT2A
SCHEMBL8636347 0.78 HPGD (0.42) POLBMEN1KMT2ANPSR1NPY5R
SCHEMBL11140840 0.77 POLB (0.54) POLBTDP1LTA4HEPHX2HTR2A
SCHEMBL9205796 0.75
SCHEMBL3375825 0.74 TSHR (0.50) POLBTDP1NPSR1NPY5RCCNT1
SCHEMBL11869290 0.74 PTGS2 (0.36) EPHX2CA2KCNH2

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-4317782-A DYE LASERS, WHITENERS BAYER AKTIENGESELLSCHAFT (DE) 1982-03-02 US disclosed