SCHEMBL24318101

SCHEMBL24318101

CCOC(=O)C1C(C(=O)OCC)C1c1ccccc1

nearest known ligand 0.93

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
GAA P10253 1/20 0.58
FABP7 O15540 4/20 0.58
PPARG P37231 4/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
FABP5 Q01469 3/20 0.57
POLB P06746 2/20 0.54
TP53 P04637 1/20 0.52
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL17366557 0.96 GAA (0.63) TSHRGAAFABP7PPARGMEN1
SCHEMBL18462855 0.96 GAA (0.63) TSHRGAAFABP7PPARGMEN1
SCHEMBL18418086 0.96 GAA (0.63) TSHRGAAFABP7PPARGMEN1
SCHEMBL5122894 0.93 TSHR (0.60) TSHRGAAFABP7PPARGMEN1
SCHEMBL14276798 0.93 TSHR (0.60) TSHRGAAFABP7PPARGMEN1
SCHEMBL26036694 0.91 GAA (0.71) TSHRGAAFABP7PPARGMEN1
SCHEMBL18828500 0.88 MEN1 (0.57) TSHRGAAFABP7PPARGMEN1
SCHEMBL6425222 0.86 TSHR (0.54) TSHRGAAFABP7PPARGMEN1
SCHEMBL6425221 0.86 TSHR (0.54) TSHRGAAFABP7PPARGMEN1
SCHEMBL15768992 0.85 TSHR (0.53) TSHRGAAFABP7PPARGMEN1

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
WO-2022041462-A1 SYNTHESIS METHOD FOR CYCLOPROPANE COMPOUND 凯莱英生命科学技术(天津)有限公司 2022-03-03 WO disclosed