SCHEMBL30307516

SCHEMBL30307516

C=C(C)C(=O)OCCCc1cc(-n2nc3ccc(OC)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
AKR1B10 O60218 1/20 0.30
AKR1B1 P15121 1/20 0.30
HPGDS O60760 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL12231778 1.00 TNKS2 (0.34) TNKS2POLBAPEX1HTTTDP1
SCHEMBL8620062 0.95 NPC1 (0.34) POLBAPEX1HTTTDP1NPC1
SCHEMBL25282759 0.91 POLB (0.32) POLBAPEX1HTTTDP1MAPT
SCHEMBL14213069 0.89 NPC1 (0.34) TNKS2POLBAPEX1HTTTDP1
SCHEMBL3880166 0.89 GAA (0.36) TNKS2POLBAPEX1HTTTDP1
SCHEMBL29716387 0.89 GAA (0.36) TNKS2POLBAPEX1HTTTDP1
SCHEMBL12128112 0.89 GAA (0.33) TNKS2POLBAPEX1HTTTDP1
SCHEMBL292630 0.89 POLB (0.39) POLBAPEX1HTTTDP1NPC1
SCHEMBL29399137 0.89 POLB (0.39) POLBAPEX1HTTTDP1NPC1
SCHEMBL29370220 0.89 GAA (0.33) TNKS2POLBAPEX1HTTTDP1

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-3805290-B1 POLYMER MATERIAL AND INTRAOCULAR LENS SHANGHAI FULO MEDICAL INSTR CO LTD (CN) 2024-09-11 EP claimed
EP-3805290-B1 POLYMER MATERIAL AND INTRAOCULAR LENS SHANGHAI FULO MEDICAL INSTR CO LTD (CN) 2024-09-11 EP disclosed
CN-112204073-B Polymeric material and intraocular lens 上海富吉医疗器械有限公司 2023-05-09 CN disclosed