SCHEMBL28514713

SCHEMBL28514713

COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
TDP1 Q9NUW8 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
KMT2A Q03164 9/20 0.53
MEN1 O00255 3/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PARP10 Q53GL7 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL13161758 0.88 MAPT (0.71) MAPTTDP1L3MBTL1KMT2AMEN1
SCHEMBL13161708 0.87 MAPT (0.69) MAPTTDP1L3MBTL1KMT2AMEN1
SCHEMBL1546266 0.86 SMN1; SMN2 (0.68) MAPTTDP1L3MBTL1KMT2AMEN1
SCHEMBL28514711 0.85 ELANE (0.51) MAPTTDP1L3MBTL1KMT2AMEN1
SCHEMBL141568 0.85 MAPT (0.71) MAPTTDP1L3MBTL1KMT2AMEN1
SCHEMBL16429579 0.84 CES2 (0.69) MAPTTDP1L3MBTL1KMT2AMEN1
SCHEMBL12451790 0.84 MAPT (0.69) MAPTTDP1L3MBTL1KMT2AMEN1
SCHEMBL16698731 0.82 CA4 (0.54) TDP1L3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL26862 0.82 CA4 (0.54) TDP1L3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL121800 0.82 CA4 (0.54) TDP1L3MBTL1LMNASMN1; SMN2ALDH1A1

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
CN-107473972-B Nucleoside protective group and preparation thereof 上海兆维科技发展有限公司 2021-01-08 CN disclosed