SCHEMBL28020095

SCHEMBL28020095

CCOC(=O)c1cccc(C)c1OC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 1/20 0.47
CXCR5 P32302 4/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
CDC25B P30305 2/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL28020515 0.90 ALDH1A1 (0.57) TSHRALDH1A1HSD17B10CXCR5TP53
SCHEMBL499283 0.85 TSHR (0.50) TSHRALDH1A1HSD17B10CYP1A2MAPT
SCHEMBL28020078 0.84 CXCR5 (0.49) ALDH1A1HSD17B10CXCR5NPC1CA12
SCHEMBL12313575 0.84 CXCR5 (0.52) TSHRALDH1A1HSD17B10CXCR5MAPT
SCHEMBL11678098 0.83 TSHR (0.63) TSHRALDH1A1HSD17B10CYP1A2MAPT
SCHEMBL16912150 0.82 CXCR5 (0.46) TSHRALDH1A1CXCR5RAB9APOLB
SCHEMBL9735541 0.82 TSHR (0.61) TSHRALDH1A1HSD17B10CYP1A2MAPT
SCHEMBL14975222 0.82 TSHR (0.53) TSHRALDH1A1HSD17B10CYP1A2MAPT
SCHEMBL383489 0.80 ALDH1A1 (0.62) ALDH1A1HSD17B10CYP1A2CXCR5POLB
SCHEMBL14975118 0.80 TSHR (0.50) TSHRALDH1A1HSD17B10MAPTTP53

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