SCHEMBL29197989

SCHEMBL29197989

CC(C)OC(=O)Cc1ccc(N)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
MEN1 O00255 1/20 0.47
CRHBP P24387 1/20 0.47
KMT2A Q03164 1/20 0.47
CRHR2 Q13324 1/20 0.47
CYP19A1 P11511 1/20 0.46
KLK7 P49862 5/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL4901678 0.90 TSHR (0.81) TSHRMEN1CRHBPKMT2ACRHR2
SCHEMBL10309729 0.83 TSHR (0.70) TSHRMEN1CRHBPKMT2ACRHR2
SCHEMBL5175026 0.83 TSHR (0.76) TSHRMEN1CRHBPKMT2ACRHR2
SCHEMBL14010060 0.83 TSHR (0.70) TSHRMEN1CRHBPKMT2ACRHR2
SCHEMBL9626909 0.83 TSHR (0.70) TSHRMEN1CRHBPKMT2ACRHR2
SCHEMBL10369206 0.81 TSHR (0.68) TSHRMEN1KMT2ACYP19A1KLK7
SCHEMBL873430 0.81 TSHR (1.00) TSHRCYP19A1KLK7POLBMAPT
SCHEMBL317876 0.80 TSHR (0.66) TSHRKMT2AKLK7TDP1SMN1; SMN2
SCHEMBL11630772 0.80 TSHR (0.65) TSHRMEN1CRHBPKMT2ACRHR2
SCHEMBL11147997 0.79 CYP19A1 (0.46) TSHRCYP19A1POLBHSD17B10ALDH1A1

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-117417285-B Isomanka key intermediate and preparation method thereof 苏中药业集团股份有限公司 2025-04-25 CN disclosed
CN-117417285-A Isomanka key intermediate and preparation method thereof 苏中药业集团股份有限公司 2024-01-19 CN disclosed