SCHEMBL10587145

SCHEMBL10587145

CC(C)(c1ccc(O)cc1)c1ccc(OC(=O)c2ccc(C(=O)O)c3c2CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
AR P10275 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR6 P50406 1/20 0.42
ESRRG P62508 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 7/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6284689 0.82 ESR1 (0.53) ESR1ESR2CYP3A4HSD17B10HPGD
SCHEMBL9653385 0.80 MAPT (0.45) ESR1ESR2CYP3A4HSD17B10HPGD
SCHEMBL2854092 0.76 MAPT (0.56) ESR1ESR2CYP3A4HSD17B10HPGD
SCHEMBL3127180 0.76 MAPT (0.56) HSD17B10HPGDALDH1A1MAPTTDP1
SCHEMBL21681865 0.75 MAPT (0.58) ESR1ESR2CYP3A4HSD17B10HPGD
SCHEMBL10457335 0.75 MAPT (0.58) ESR1ESR2CYP3A4HSD17B10HPGD
SCHEMBL17889901 0.75 MAPT (0.51) ESR1ESR2CYP3A4HSD17B10HPGD
SCHEMBL253201 0.75 ESR1 (0.59) ESR1ESR2CYP3A4HSD17B10HPGD
SCHEMBL8862975 0.75 ESR1 (0.59) ESR1ESR2CYP3A4HSD17B10HPGD
SCHEMBL12337501 0.75 MAPT (0.71) ESR1ESR2CYP3A4HSD17B10HPGD

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
EP-0317748-A2 Pre-treatment process for synthetic resins SCHERING AKTIENGESELLSCHAFT (DE) 1989-05-31 EP claimed