SCHEMBL21903451

SCHEMBL21903451

OCCOc1ccccc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
RECQL P46063 1/20 0.47
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
LMNA P02545 5/20 0.43
IDO1 P14902 1/20 0.42
SLC6A2 P23975 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.38
JAK2 O60674 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ADRB2 P07550 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL6241172 0.85 DRD2 (0.41) ALDH1A1DRD2DRD1LMNAIDO1
SCHEMBL11329638 0.83 ALDH1A1 (0.48) ALDH1A1RECQLDRD2DRD1LMNA
SCHEMBL9310352 0.79 L3MBTL1 (0.50) ALDH1A1LMNAIDO1SLC6A2MAPT
SCHEMBL23082201 0.79 ALDH1A1 (0.49) ALDH1A1RECQLIDO1SLC6A2GAA
SCHEMBL34022 0.79 ALDH1A1 (0.47) ALDH1A1RECQLLMNAIDO1HTT
SCHEMBL5532702 0.78 CYP1A2 (0.57) LMNAMEN1KMT2AADRB2
SCHEMBL30395472 0.78 ALDH1A1 (0.53) ALDH1A1RECQLLMNAIDO1HTT
SCHEMBL29429254 0.78 ALDH1A1 (0.53) ALDH1A1RECQLLMNAIDO1HTT
SCHEMBL11344335 0.78 ALDH1A1 (0.53) ALDH1A1RECQLLMNAIDO1HTT
SCHEMBL1274902 0.78 LMNA (0.65) ALDH1A1RECQLLMNAIDO1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140682-A1 REINFORCED POLYCARBONATE RESIN COMPOSITION TEIJIN LIMITED (JP) 2020-05-07 US disclosed
CN-106458817-A Novel bis (hydroxyalkoxyphenyl) diphenylmethanes 本州化学工业株式会社 2017-02-22 CN disclosed