SCHEMBL28524315

SCHEMBL28524315

COCc1cc(O)ccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.52
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA7 P43166 5/20 0.52
CA9 Q16790 5/20 0.52
CA14 Q9ULX7 5/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
ALOX5 P09917 1/20 0.47
PTGS2 P35354 1/20 0.47
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
EGFR P00533 3/20 0.45
LCK P06239 2/20 0.45
PRKCE Q02156 1/20 0.45
HSD17B3 P37058 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
RGS12 O14924 1/20 0.43
MAPT P10636 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43

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
SCHEMBL27544340 0.84 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL28126806 0.82 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL39010 0.82 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL5127002 0.82 KDM4E (0.44) ALDH1A1LCKTDP1HSD17B10KDM4E
SCHEMBL256719 0.82 TDP1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL7627461 0.82 ALDH1A1 (0.57) ALDH1A1TSHRPTGS2PRKCETDP1
SCHEMBL9768507 0.82 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL27517848 0.81 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL3873135 0.81 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL27658957 0.81 CA12 (0.55) CA12CA1CA2CA7CA9

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
CN-112656954-A Lipid formulations for delivery of messenger RNA 夏尔人类遗传性治疗公司 2021-04-16 CN disclosed
CN-112618732-A Lipid formulations for delivery of messenger RNA 夏尔人类遗传性治疗公司 2021-04-09 CN disclosed
CN-105813656-B Lipid formulations for delivery of messenger RNA 夏尔人类遗传性治疗公司 2021-01-15 CN disclosed