SCHEMBL9626909

SCHEMBL9626909

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.70
CA2 P00918 6/20 0.53
CA12 O43570 4/20 0.53
CA1 P00915 4/20 0.53
CA7 P43166 4/20 0.53
CA9 Q16790 4/20 0.53
CA14 Q9ULX7 4/20 0.53
CAMK2A Q9UQM7 1/20 0.50
SENP1 Q9P0U3 1/20 0.47
CYP19A1 P11511 1/20 0.47
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
MEN1 O00255 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
MIF P14174 1/20 0.44
POLB P06746 1/20 0.44

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 0.92 TSHR (0.81) TSHRCYP19A1MEN1CRHBPKMT2A
SCHEMBL6563853 0.92 TSHR (0.60) TSHRCA2CA12CA1CA7
SCHEMBL10309729 0.85 TSHR (0.70) TSHRCYP19A1MEN1CRHBPKMT2A
SCHEMBL14010060 0.85 TSHR (0.70) TSHRCYP19A1MEN1CRHBPKMT2A
SCHEMBL5175026 0.85 TSHR (0.76) TSHRCA2CAMK2ACYP19A1AKR1B1
SCHEMBL10369206 0.83 TSHR (0.68) TSHRCYP19A1MEN1KMT2APOLB
SCHEMBL27255868 0.83 TSHR (0.68) TSHRCYP19A1MEN1CRHBPKMT2A
SCHEMBL27455918 0.83 TSHR (0.68) TSHRCYP19A1MEN1CRHBPKMT2A
SCHEMBL29197989 0.83 TSHR (0.68) TSHRCYP19A1MEN1CRHBPKMT2A
SCHEMBL873430 0.82 TSHR (1.00) TSHRCYP19A1AKR1B1POLBKLK7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0476865-A1 Resist material and process for forming pattern using the same WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-03-25 EP disclosed
EP-0088008-B1 IMPROVED PROCESS FOR THE PRODUCTION OF 2-(4-(2-THIAZOLYLOXY)PHENYL)PROPIONIC ACID SHIONOGI & CO., LTD. (JP) 1987-02-04 EP disclosed
EP-0088008-A1 Improved process for the production of 2-(4-(2-thiazolyloxy)phenyl)propionic acid SHIONOGI & CO., LTD. (JP) 1983-09-07 EP disclosed