SCHEMBL21397094

SCHEMBL21397094

CCC1(COCC(O)COc2ccc(S(=O)(=O)c3ccc(OCC(O)COCC4(CC)COC4)cc3)cc2)COC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 10/20 0.41
▸ CA2 P00918 10/20 0.41
▸ CA9 Q16790 10/20 0.41
▸ CA4 P22748 5/20 0.41
▸ CA7 P43166 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ CA12 O43570 5/20 0.39
▸ PKM P14618 2/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ADRB2 P07550 3/20 0.37
▸ ADRB1 P08588 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL1131082 0.84 LMNA (0.43) GAAPKMLMNAPOLBMAPT
SCHEMBL13929120 0.82 HIF1A (0.48) ALDH1A1GAANPSR1LMNAPOLB
SCHEMBL21089713 0.82 PKM (0.47) CA1CA2CA9CA7ALDH1A1
SCHEMBL1666633 0.78 TSHR (0.33) —
SCHEMBL21397096 0.77 SMN1; SMN2 (0.37) ALDH1A1GAAPKMNPSR1LMNA
SCHEMBL27502495 0.75 NAMPT (0.35) CA1CA2CA9ALDH1A1GAA
SCHEMBL9251614 0.75 CA1 (0.53) CA1CA2CA9CA4CA7
SCHEMBL9497426 0.75 CA1 (0.53) CA1CA2CA9CA4CA7
SCHEMBL12769761 0.74 MAPT (0.40) ALDH1A1GAAPKMNPSR1LMNA
SCHEMBL12769787 0.74 LMNA (0.43) ALDH1A1GAAPKMNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787959-B2 Radiation curable gravure ink CHANGZHOU GREEN PHOTOSENSITIVE MATERIALS CO., LTD. (CN) 2023-10-17 — — US disclosed
US-11787959-B2 Radiation curable gravure ink CHANGZHOU GREEN PHOTOSENSITIVE MATERIALS CO., LTD. (CN) 2023-10-17 — — US disclosed
US-20210115276-A1 Radiation curable Gravure Ink CHANGZHOU GREEN PHOTOSENSITIVE MAT CO LTD (CN) 2021-04-22 — — US disclosed
WO-2019179460-A1 RADIATION-CURABLE GRAVURE INK 常州格林感光新材料有限公司 2019-09-26 — — WO disclosed
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