SCHEMBL11249752

SCHEMBL11249752

CCOOP(=O)(Cc1ccc(Cl)cc1)OOCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 3/20 0.34
AGXT P21549 2/20 0.34
RAB9A P51151 3/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
TACR2 P21452 1/20 0.33
AGTR1 P30556 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL10964364 0.91 ENPP2 (0.35) POLBSMN1; SMN2
SCHEMBL9181309 0.85 ENPP2 (0.33) POLBSMN1; SMN2
SCHEMBL8636347 0.81 HPGD (0.42) POLBMEN1KMT2ATP53
SCHEMBL917064 0.81 NPY5R (0.42) ALDH1A1KDM4EPOLBGAACTDSP1
SCHEMBL9205796 0.79
SCHEMBL11250226 0.78 POLB (0.39) POLBTDP1MEN1KMT2AEPHX2
SCHEMBL10924475 0.78 CYP2A6 (0.47) ALDH1A1RAB9AHTTMAPTEPHX2
SCHEMBL11869290 0.78 PTGS2 (0.36) EPHX2
SCHEMBL5870639 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBGAACTDSP1
SCHEMBL914602 0.73 PPARD (0.42) ALDH1A1KDM4EPOLBGAACTDSP1

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