SCHEMBL27029752

SCHEMBL27029752

CCOc1c(C)cc(-c2ccc3c(c2)CC(C)(C)[C@H]3NC(=O)O)cc1C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.33
CNR2 P34972 5/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
TP53 P04637 1/20 0.32
RIPK2 O43353 1/20 0.31
HTT P42858 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
SCHEMBL27212710 1.00 CNR1 (0.33) CNR1CNR2KDM4EALDH1A1MAPT
SCHEMBL27029650 0.92 GSTA1 (0.33) CNR1CNR2MAPTTP53
SCHEMBL23362013 0.92 GSTA1 (0.33) CNR1CNR2MAPTTP53
SCHEMBL27029643 0.89 DGAT1 (0.32) CNR1CNR2KDM4EALDH1A1MAPT
SCHEMBL27029693 0.89 GAA (0.39) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL23361898 0.88 CNR1 (0.33) CNR1CNR2KDM4EALDH1A1MAPT
SCHEMBL23362301 0.88 CNR1 (0.42) CNR1CNR2KDM4EALDH1A1MAPT
SCHEMBL23362342 0.87 RXRA (0.41) ALDH1A1MAPTRXRARXRB
SCHEMBL27029757 0.87 RXRA (0.41) ALDH1A1MAPTRXRARXRB
SCHEMBL23362651 0.85 CXCR5 (0.39) CNR1CNR2RXRARXRB

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
EP-4308561-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST GLUCOSYLCERAMIDE SYNTHASE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Yuhan Corporation (KR) 2024-01-24 EP claimed
EP-4308561-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST GLUCOSYLCERAMIDE SYNTHASE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESSES FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Yuhan Corporation (KR) 2024-01-24 EP disclosed