SCHEMBL28634007

SCHEMBL28634007

O=C(Cc1ccccc1)Oc1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
CYP19A1 P11511 1/20 0.57
CYP3A4 P08684 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
UCHL1 P09936 1/20 0.50
USP5 P45974 1/20 0.50
USP4 Q13107 1/20 0.50
SENP1 Q9P0U3 1/20 0.50
HPGD P15428 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD3 P35462 1/20 0.47
PAM P19021 1/20 0.46
ESR1 P03372 2/20 0.45

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
SCHEMBL8862346 0.86 CYP19A1 (0.56) KMT2ACYP19A1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL21114395 0.86 KMT2A (0.49) KMT2ACYP19A1CYP3A4SMN1; SMN2
SCHEMBL27744906 0.84 KMT2A (0.56) KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL538524 0.84 CYP19A1 (0.76) KMT2ACYP19A1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL1640435 0.83 SMN1; SMN2 (0.61) KMT2ACYP19A1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL29393816 0.83 SMN1; SMN2 (0.61) KMT2ACYP19A1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL27965895 0.83 CYP19A1 (0.53) KMT2ACYP19A1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL4642390 0.82 CYP3A4 (0.61) KMT2ACYP3A4ALDH1A1MAPK1ESR1
SCHEMBL8365863 0.82 CYP19A1 (0.73) KMT2ACYP19A1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL4205339 0.82 CYP19A1 (0.73) KMT2ACYP19A1SMN1; SMN2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113308943-B Antibacterial tipping paper 江苏众立生包装科技有限公司 2022-04-01 CN claimed
CN-113308943-B Antibacterial tipping paper 江苏众立生包装科技有限公司 2022-04-01 CN disclosed
CN-113308943-A Antibacterial tipping paper 江苏众立生包装科技有限公司 2021-08-27 CN disclosed