SCHEMBL19944449

SCHEMBL19944449

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACACB O00763 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
EPHX2 P34913 1/20 0.39
CASR P41180 1/20 0.39
POLB P06746 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.38
PPARD Q03181 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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 0.84 LMNA (0.46) ARALDH1A1POLBLMNAMAPT
SCHEMBL19944267 0.83 RXRA (0.43) ARALDH1A1POLBLMNAMAPT
SCHEMBL19944240 0.82 CYP2C9 (0.53) ARALDH1A1L3MBTL1POLBLMNA
SCHEMBL19944372 0.81 MTNR1A (0.50) ARPOLBLMNAMAPTAPEX1
SCHEMBL19944479 0.80 POLB (0.48) POLBAPEX1HTTTDP1
SCHEMBL4188595 0.79 MAPT (0.50) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4197201 0.79 MAPT (0.47) ARPOLBLMNAMAPTSMN1; SMN2
SCHEMBL19944473 0.79 LTA4H (0.47) ARACACBPOLBLMNAMAPT
SCHEMBL14173324 0.79 AR (0.47) ARALDH1A1ACACBPOLBLMNA
SCHEMBL19944447 0.79 MAOB (0.40) ARALDH1A1L3MBTL1ACACBHRH3

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