SCHEMBL31072002

SCHEMBL31072002

COC(=O)Cc1ccccc1C1=CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
GCK P35557 1/20 0.37
PDE10A Q9Y233 2/20 0.37
PIK3CD O00329 3/20 0.36
PIK3CA P42336 3/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
JAK3 P52333 1/20 0.35
FABP7 O15540 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL21767784 1.00 KDM4E (0.39) KDM4EGCKPDE10APIK3CDPIK3CA
Hydrochloric Acid SCHEMBL31173344 0.73 CHRM3 (0.41) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL21767540 0.72 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL31072046 0.72 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL1554320 0.71 KDM4E (0.53) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL7353766 0.70 KMT2A (0.51) KDM4EFABP7
SCHEMBL17051250 0.70 KDM4E (0.40) KDM4EALDH1A1MAPT
SCHEMBL30730392 0.70 PIK3CD (0.41) GCKPDE10APIK3CDPIK3CAPIK3R1
SCHEMBL17396690 0.70 PIK3CD (0.43) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL12712665 0.69 PDK4 (0.64) PDE10ASCN9A

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-118878533-A Inhibition of αvβ6 integrin 莫菲克医疗股份有限公司 2024-11-01 CN disclosed
CN-112805001-B Inhibition of αvβ6 integrin 莫菲克医疗股份有限公司 2024-07-23 CN disclosed