SCHEMBL28295220

SCHEMBL28295220

CCCCOC(=O)c1occc1C(=O)OCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.57
TDP1 Q9NUW8 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 8/20 0.51
MAPK1 P28482 3/20 0.51
CYP3A4 P08684 3/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 1/20 0.50
ESR1 P03372 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL9863067 0.97 TSHR (0.60) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28381382 0.94 ALDH1A1 (0.58) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28296969 0.93 TSHR (0.55) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28902553 0.92 TSHR (0.61) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28706598 0.91 ALDH1A1 (0.62) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28902543 0.91 ALDH1A1 (0.62) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28308702 0.91 ALDH1A1 (0.62) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28902535 0.91 ALDH1A1 (0.62) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28511326 0.91 ALDH1A1 (0.62) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL28296974 0.90 TSHR (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109679300-A Thermoplastic polyester complex and preparation method thereof, product 中国科学院宁波材料技术与工程研究所 2019-04-26 CN claimed
CN-109679300-A Thermoplastic polyester complex and preparation method thereof, product 中国科学院宁波材料技术与工程研究所 2019-04-26 CN disclosed