SCHEMBL28020064

SCHEMBL28020064

CCCCOc1c(C)cccc1C(=O)OCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 3/20 0.54
CYP3A4 P08684 2/20 0.54
TP53 P04637 1/20 0.54
LMNA P02545 3/20 0.53
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNE1 P24864 1/20 0.44

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
SCHEMBL28020507 0.95 TSHR (0.66) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL16572842 0.94 ALDH1A1 (0.62) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL14974491 0.93 TSHR (0.57) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL14992204 0.88 TSHR (0.58) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL14974980 0.88 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL14974972 0.87 ALDH1A1 (0.59) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL17502675 0.87 TSHR (0.66) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL29196228 0.86 ALDH1A1 (0.64) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28020068 0.86 ALDH1A1 (0.55) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28020495 0.85 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1MAPK1

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-104829756-A Solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed