SCHEMBL28660280

SCHEMBL28660280

N#Cc1cccc(O)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.46
ESR2 Q92731 1/20 0.44
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
BCL2L1 Q07817 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDK2 Q15119 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 1/20 0.39
FASN P49327 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
PGR P06401 2/20 0.38

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
SCHEMBL9318618 0.87 ESR2 (0.53) ARESR2MAOAMAOBALDH1A1
SCHEMBL18411452 0.85 TSHR (0.46) ESR2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL28136375 0.84 MAOA (0.49) ARESR2MAOAMAOBALDH1A1
SCHEMBL29403248 0.83 ESR2 (0.52) ARESR2MAOAMAOBALDH1A1
SCHEMBL6752587 0.83 ESR2 (0.52) ARESR2MAOAMAOBALDH1A1
SCHEMBL10429209 0.82 ESR2 (0.55) ARESR2MAOAMAOBALDH1A1
SCHEMBL28773472 0.80 ALDH1A1 (0.40) ARESR2MAOAALDH1A1HPGD
SCHEMBL27710273 0.78 MAOA (0.51) ARESR2MAOAMAOBALDH1A1
SCHEMBL355552 0.78 ALDH1A1 (0.55) ESR2MAOAMAOBALDH1A1HPGD
SCHEMBL565466 0.78 ESR2 (0.50) ESR2ALDH1A1HPGDGAAMAPT

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
CN-113574041-A Method for producing bisphenol and method for producing polycarbonate resin 三菱化学株式会社 2021-10-29 CN disclosed