SCHEMBL22129608

SCHEMBL22129608

C=CCC(=O)OC(=O)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 5/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 2/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 2/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2C9 P11712 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
MPO P05164 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL22129589 0.83 SNCA (0.46) SNCASMN1; SMN2HSD17B10L3MBTL1KDM4E
SCHEMBL1149074 0.82 LMNA (0.47) SMN1; SMN2L3MBTL1TSHRKMT2ALMNA
SCHEMBL22129599 0.81 ALDH1A1 (0.53) L3MBTL1KDM4ETSHRKMT2ALMNA
SCHEMBL22129622 0.81 SNCA (0.43) SNCASMN1; SMN2HSD17B10L3MBTL1KDM4E
SCHEMBL8387161 0.81 ESR1 (0.46) SMN1; SMN2KDM4ETSHRRAB9AKMT2A
SCHEMBL27537203 0.81 HTT (0.55) SNCASMN1; SMN2L3MBTL1TSHRCA1
SCHEMBL22129625 0.80 LMNA (0.45) SNCASMN1; SMN2HSD17B10L3MBTL1KDM4E
SCHEMBL29063511 0.77 KDM4E (0.47) SMN1; SMN2L3MBTL1KDM4ERAB9ALMNA
SCHEMBL647632 0.77 HSD17B10 (0.64) SMN1; SMN2HSD17B10L3MBTL1KDM4ETSHR
SCHEMBL29267468 0.77 HSD17B10 (0.50) SNCASMN1; SMN2HSD17B10L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113226247-A Resin composition for stereolithography 可乐丽则武齿科株式会社 2021-08-06 CN disclosed
WO-2020129736-A1 RESIN COMPOSITION FOR OPTICAL MOLDING クラレノリタケデンタル株式会社 2020-06-25 WO disclosed