SCHEMBL10353071

SCHEMBL10353071

CCOC(=O)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 2/20 0.54
CDC25B P30305 2/20 0.54
CYP1A2 P05177 2/20 0.49
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.47
ALOX15 P16050 2/20 0.47
KMT2A Q03164 2/20 0.47
CLEC4M Q9H2X3 1/20 0.47
CDC25A P30304 1/20 0.47
CDC25C P30307 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL11521675 0.96 TSHR (0.68) TSHRCA12CA1CA2CA7
SCHEMBL27523216 0.93 TSHR (0.63) TSHRCA12CA1CA2CA7
SCHEMBL28222952 0.89 TSHR (0.57) TSHRCA12CA1CA2CA7
SCHEMBL31121003 0.89 TSHR (0.54) TSHRCA12CA1CA2CA7
SCHEMBL10395037 0.88 CA12 (0.54) TSHRCA12CA1CA2CA7
SCHEMBL1424504 0.88 TSHR (0.61) TSHRCA12CA1CA2CA7
SCHEMBL1097855 0.86 CA12 (0.71) TSHRCA12CA1CA2CA7
SCHEMBL28849157 0.86 TSHR (0.53) TSHRCA12CA1CA2CA7
SCHEMBL31542996 0.85 TSHR (0.64) TSHRCA12CA1CA2CA7
SCHEMBL560709 0.85 TSHR (0.73) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0123159-B1 POSITIVE-WORKING PHOTOSENSITIVE BENZOIN ESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-05 EP claimed
EP-0123159-A2 Positive-working photosensitive benzoin esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-31 EP claimed
US-4469774-A RELIEF PRINTING PLATES, PHOTORESISTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-09-04 US claimed
WO-2021125246-A1 FLUORESCENT CURABLE DENTAL COMPOSITION AND CURED PRODUCT THEREOF クラレノリタケデンタル株式会社 2021-06-24 WO disclosed
WO-2020122192-A1 DENTAL COMPOSITION クラレノリタケデンタル株式会社 2020-06-18 WO disclosed
CN-110464657-A Dental material uses polymerizable monomer composition as the purposes of dental material MITSUI CHEMICALS INC 2019-11-19 CN disclosed