SCHEMBL22012374

SCHEMBL22012374

Cc1cc(C(C)(C)c2ccc(OC(=O)Oc3ccccc3)c(C)c2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.53
ESR2 Q92731 2/20 0.47
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
VDR P11473 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
AR P10275 1/20 0.36
HPGD P15428 1/20 0.36
NSD2 O96028 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL22012375 1.00 ESR1 (0.53) ESR1ESR2MAPTTDP1L3MBTL1
SCHEMBL16394993 0.93 MAPT (0.42) ESR1ESR2MAPTTDP1L3MBTL1
SCHEMBL22012376 0.90 ESR1 (0.65) ESR1ESR2VDRAR
SCHEMBL21790500 0.85 HSD17B1 (0.43) ESR1ESR2MAPTTDP1HPGD
SCHEMBL21790499 0.85 HSD17B1 (0.43) ESR1ESR2MAPTTDP1HPGD
SCHEMBL11949465 0.84 ESR1 (0.53) ESR1ESR2TDP1CNR1CNR2
SCHEMBL12221886 0.84 KDM4E (0.40) ESR1ESR2MAPTTDP1L3MBTL1
SCHEMBL12358697 0.83 L3MBTL1 (0.42) MAPTTDP1L3MBTL1HPGDKDM4E
SCHEMBL12761349 0.83 ESR1 (0.54) ESR1ESR2MAPTTDP1L3MBTL1
SCHEMBL12289150 0.81 CNR1 (0.43) ESR1ESR2CNR1CNR2KDM4E

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
US-10662286-B2 Aromatic polycarbonate oligomer solid Honchu Chemical Industry Co., Ltd. (JP) 2020-05-26 US disclosed