SCHEMBL21942018

SCHEMBL21942018

CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(OC(=O)Oc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.65
ESR2 Q92731 5/20 0.65
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ELANE P08246 7/20 0.46
LTA4H P09960 1/20 0.44
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL21942017 1.00 ESR1 (0.65) ESR1ESR2ALDH1A1CYP3A4L3MBTL1
SCHEMBL21942016 0.98 ESR1 (0.67) ESR1ESR2ALDH1A1CYP3A4L3MBTL1
SCHEMBL21942015 0.93 MAPT (0.53) ESR1ESR2ALDH1A1L3MBTL1MAPT
SCHEMBL16394899 0.93 MAPT (0.53) ESR1ESR2ALDH1A1L3MBTL1MAPT
SCHEMBL9349408 0.90 ALDH1A1 (0.65) ESR1ESR2ALDH1A1CYP3A4L3MBTL1
SCHEMBL11949463 0.89 ALDH1A1 (0.67) ESR1ESR2ALDH1A1CYP3A4L3MBTL1
SCHEMBL15831653 0.89 ESR1 (0.61) ESR1ESR2ALDH1A1CYP3A4L3MBTL1
SCHEMBL8862933 0.89 ESR1 (0.67) ESR1ESR2ALDH1A1CYP3A4L3MBTL1
SCHEMBL10057842 0.87 ESR1 (0.65) ESR1ESR2ALDH1A1CYP3A4L3MBTL1
Bisphenol A SCHEMBL6213711 0.87 ESR1 (0.63) ESR1ESR2ALDH1A1CYP3A4L3MBTL1

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-11130841-B2 Aromatic polycarbonate oligomer solid HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2021-09-28 US disclosed
US-20200115495-A1 AROMATIC POLYCARBONATE OLIGOMER SOLID HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2020-04-16 US disclosed