SCHEMBL21208588

SCHEMBL21208588

CCC(C)(O)C(=O)c1ccc(CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MLYCD O95822 2/20 0.38
ACE2 Q9BYF1 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
KMT2A Q03164 1/20 0.36
PLK1 P53350 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL4457411 0.86 ALDH1A1 (0.55) ALDH1A1PLK1HPGDSMN1; SMN2
SCHEMBL28584026 0.85 CYP4A11 (0.47) PPARAPLK1THRBCA2
SCHEMBL480503 0.84 EPHX2 (0.49) EPHX2PPARGPPARAPRSS1PRSS2
SCHEMBL4457109 0.83 PLK1 (0.53) ALDH1A1KMT2APLK1THRATHRB
SCHEMBL8242799 0.82 EPHX2 (0.50) EPHX2PPARGPPARAPRSS1PRSS2
SCHEMBL4083719 0.81 KMT2A (0.47) EPHX2ALDH1A1MLYCDKMT2APLK1
SCHEMBL10458156 0.80 RARB (0.56) ALDH1A1KMT2APLK1THRATHRB
SCHEMBL4468555 0.80 CA2 (0.55) ALDH1A1KMT2AHPGDSMN1; SMN2CA2
SCHEMBL10710582 0.78 HDAC1 (0.52) EPHX2ALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL195379 0.78 CES1 (0.50) ALDH1A1KMT2AHPGDSMN1; SMN2

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-20190235316-A1 POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2019-08-01 US disclosed