SCHEMBL24735672

SCHEMBL24735672

CCCCCOC1COCC1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPP5C P53041 1/20 0.34
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL13437238 0.94 SMN1; SMN2 (0.39) GBA1ALDH1A1TDP1SMN1; SMN2PPP5C
SCHEMBL10429764 0.88 GBA1 (0.47) GBA1ALDH1A1TDP1RECQLGLA
SCHEMBL10429763 0.88 GBA1 (0.47) GBA1ALDH1A1TDP1RECQLGLA
SCHEMBL10429908 0.88 GBA1 (0.47) GBA1ALDH1A1TDP1RECQLGLA
SCHEMBL10429909 0.88 GBA1 (0.47) GBA1ALDH1A1TDP1RECQLGLA
SCHEMBL10429712 0.88 GBA1 (0.47) GBA1ALDH1A1TDP1RECQLGLA
SCHEMBL10429711 0.88 GBA1 (0.47) GBA1ALDH1A1TDP1RECQLGLA
SCHEMBL13993060 0.85
SCHEMBL24735737 0.81 GBA1 (0.39) GBA1ALDH1A1TDP1SMN1; SMN2PPP5C
SCHEMBL14704312 0.78 GBA1 (0.39) GBA1ALDH1A1TDP1MAPK1SMN1; 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-2022258057-A1 COMPOUNDS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2022-12-15 WO disclosed