SCHEMBL19944240

SCHEMBL19944240

C=C(C)C(=O)OC(COc1ccc(OC)cc1)COc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 4/20 0.47
KMT2A Q03164 1/20 0.44
AR P10275 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 2/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
CYP19A1 P11511 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL19944334 0.89 LMNA (0.46) MAPTKMT2AARALDH1A1POLB
SCHEMBL19944372 0.86 MTNR1A (0.50) MAPTARMTNR1AMTNR1BPOLB
SCHEMBL19944452 0.85 MTNR1A (0.56) TSHRALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL19944267 0.85 RXRA (0.43) MAPTKMT2AARALDH1A1POLB
SCHEMBL19944479 0.85 POLB (0.48) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28537147 0.84 TDP1 (0.40) CYP2C9TSHRMAPTKMT2AAR
SCHEMBL19944473 0.84 LTA4H (0.47) MAPTARMTNR1AMTNR1BPOLB
SCHEMBL4197201 0.84 MAPT (0.47) MAPTARMTNR1AMTNR1BPOLB
SCHEMBL28729088 0.84 MTNR1A (0.46) MAPTARMTNR1AMTNR1BPOLB
SCHEMBL4188595 0.84 MAPT (0.50) CYP2C9MAPTMTNR1AMTNR1BLMNA

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
WO-2018041132-A1 MONOMER, POLYMER, PREPARATION METHOD THEREFOR AND USE THEREOF 广东东阳光药业有限公司 2018-03-08 WO disclosed