SCHEMBL28555477

SCHEMBL28555477

CCCOC(=O)c1ccc(C)cc1C(=O)OC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
ALDH1A1 P00352 7/20 0.56
TSHR P16473 7/20 0.47
TDP1 Q9NUW8 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
ESR1 P03372 1/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
KDR P35968 1/20 0.43
ELANE P08246 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL28552669 0.91 TSHR (0.56) LMNAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL28564455 0.87 ALDH1A1 (0.74) LMNAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL28553544 0.87 LMNA (0.59) LMNAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL15675411 0.86 ALDH1A1 (0.65) LMNAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL6038433 0.79 TSHR (0.76) LMNAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL28554555 0.79 LMNA (0.77) LMNAALDH1A1TSHRTDP1TP53
SCHEMBL28547104 0.78 TSHR (0.54) LMNAALDH1A1TSHRNPC1RAB9A
SCHEMBL28543775 0.78 TSHR (0.72) LMNAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL28552004 0.78 TSHR (0.50) LMNAALDH1A1TSHRNPC1RAB9A
SCHEMBL301821 0.77 TSHR (0.67) LMNAALDH1A1TSHRTDP1L3MBTL1

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-109553711-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed