SCHEMBL20127262

SCHEMBL20127262

O=C(OCOC(=O)c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.61
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 3/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
ADRB2 P07550 2/20 0.55
ADRB1 P08588 2/20 0.55
ADRB3 P13945 2/20 0.55
PTPN1 P18031 1/20 0.55
HRH3 Q9Y5N1 2/20 0.54
CDC25A P30304 1/20 0.53
CDC25C P30307 1/20 0.53
HPGD P15428 2/20 0.52
MAPT P10636 1/20 0.52
MMP3 P08254 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL30826563 0.98 CDC25B (0.59) CDC25BNR4A1NR4A2NR4A3ALDH1A1
SCHEMBL30876155 0.98 CDC25B (0.59) CDC25BNR4A1NR4A2NR4A3ALDH1A1
SCHEMBL786986 0.89 CDC25B (0.61) CDC25BNR4A1NR4A2NR4A3ALDH1A1
SCHEMBL8676948 0.87 CDC25B (0.59) CDC25BNR4A1NR4A2NR4A3ALDH1A1
SCHEMBL4799014 0.87 CDC25B (0.59) CDC25BNR4A1NR4A2NR4A3ALDH1A1
SCHEMBL18904535 0.86 CDC25B (0.52) CDC25BNR4A1NR4A2NR4A3ALDH1A1
SCHEMBL5841709 0.85 CDC25B (0.58) CDC25BNR4A1NR4A2NR4A3ALDH1A1
SCHEMBL7137986 0.85 HRH3 (0.66) CDC25BNR4A1NR4A2NR4A3ALDH1A1
SCHEMBL8677309 0.85 CDC25B (0.58) CDC25BNR4A1NR4A2NR4A3ALDH1A1
SCHEMBL5215662 0.85 CDC25B (0.58) CDC25BNR4A1NR4A2NR4A3ALDH1A1

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-20180127543-A1 ORGANIC FLUORINE COMPOUND AND LUBRICANT SHOWA DENKO K.K. (JP) 2018-05-10 US disclosed