SCHEMBL22129589

SCHEMBL22129589

C=CCCC(=O)OC(=O)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 6/20 0.39
RAB9A P51151 2/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 0.38
NAPRT Q6XQN6 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
MPO P05164 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
SCHEMBL22129622 0.91 SNCA (0.43) SNCASMN1; SMN2HSD17B10L3MBTL1KDM4E
SCHEMBL22129625 0.89 LMNA (0.45) SNCASMN1; SMN2HSD17B10L3MBTL1KDM4E
SCHEMBL11580288 0.83 LMNA (0.44) SMN1; SMN2L3MBTL1TSHRKMT2ALMNA
SCHEMBL22129608 0.83 SNCA (0.48) SNCASMN1; SMN2HSD17B10L3MBTL1KDM4E
SCHEMBL28631384 0.82 ALDH1A1 (0.50) L3MBTL1KDM4EKMT2AGAALMNA
SCHEMBL719731 0.78 ALDH1A1 (0.48) SMN1; SMN2HSD17B10L3MBTL1KDM4ERAB9A
SCHEMBL27844964 0.75 CYP1A2 (0.49) SMN1; SMN2HSD17B10L3MBTL1KDM4ERAB9A
SCHEMBL9630895 0.74 TDP1 (0.43) SMN1; SMN2L3MBTL1TSHRKMT2ALMNA
SCHEMBL647632 0.74 HSD17B10 (0.64) SMN1; SMN2HSD17B10L3MBTL1KDM4ERAB9A
SCHEMBL29267468 0.74 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