SCHEMBL28020132

SCHEMBL28020132

Cc1cccc(C(=O)OCC(C)C)c1OCC(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
ALDH1A1 P00352 4/20 0.63
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
SCN4A P35499 7/20 0.46
LMNA P02545 2/20 0.46
SCN1A P35498 2/20 0.46
SCN5A Q14524 2/20 0.46
SCN9A Q15858 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 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
SCHEMBL14975222 0.93 TSHR (0.53) TSHRALDH1A1MAPTMEN1TP53
SCHEMBL29196235 0.89 ALDH1A1 (0.65) TSHRALDH1A1MAPTMEN1TP53
SCHEMBL28215030 0.89 ALDH1A1 (0.54) TSHRALDH1A1TP53ADRB2ADRB1
SCHEMBL27248870 0.88 SCN4A (0.46) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL28020068 0.88 ALDH1A1 (0.55) TSHRALDH1A1MAPTMEN1TP53
SCHEMBL28020514 0.87 SCN4A (0.45) TSHRALDH1A1SCN4ALMNASCN1A
SCHEMBL28020495 0.86 TSHR (0.56) TSHRALDH1A1TP53SCN4ALMNA
SCHEMBL27248901 0.84 ALDH1A1 (0.57) TSHRALDH1A1SCN4ALMNASCN1A
SCHEMBL28821652 0.83 ALDH1A1 (0.56) TSHRALDH1A1MAPTMEN1TP53
SCHEMBL6057357 0.82 ALDH1A1 (0.79) TSHRALDH1A1MAPTMEN1TP53

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-104829756-B A kind of solid catalyst component for olefine polymerization and its preparation method and application 中国科学院化学研究所 2018-05-15 CN disclosed
CN-104829756-A Solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed