SCHEMBL25823215

SCHEMBL25823215

CCOCCCOCCCCCOc1cccc(CC)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.50
GAA P10253 1/20 0.49
SOD1 P00441 1/20 0.47
GGPS1 O95749 2/20 0.46
CYP2D6 P10635 1/20 0.43
DHFR P00374 1/20 0.43

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
SCHEMBL18928532 0.89 KDM4E (0.56) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL24675642 0.88 POLB (0.57) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL9974699 0.83 TSHR (0.65) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL8349049 0.83 TSHR (0.65) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL25823611 0.83 POLB (0.56) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL5251060 0.82 KDM4E (0.63) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL15295402 0.81 ALDH1A1 (0.65) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL20378856 0.81 KDM4E (0.58) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL10801532 0.81 KDM4E (0.58) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL25815700 0.81 CNR1 (0.47) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed