SCHEMBL29954512

SCHEMBL29954512

Cc1cc(C=O)cc(C)c1OC1CCCCNC1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PDE4B Q07343 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GAA P10253 1/20 0.32
CCR2 P41597 2/20 0.31
POLB P06746 1/20 0.31
MAOA P21397 2/20 0.30
ALDH1A1 P00352 1/20 0.30
ALDH1A3 P47895 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
SCHEMBL29956283 0.76 ALDH1A1 (0.43) CCR2ALDH1A1ALDH1A3
SCHEMBL2555346 0.75 SRC (0.38) SRCRAB9ANPC1GAAMAOA
SCHEMBL29954892 0.74 ALDH1A1 (0.50) NPC1PDE4BPDE4APDE4CPDE4D
SCHEMBL29954114 0.74 PDE4B (0.51) NPC1PDE4BPDE4APDE4CPDE4D
SCHEMBL2557305 0.71 SRC (0.43) SRCRAB9ANPC1PDE4BPDE4A
SCHEMBL2556951 0.69 ALDH1A1 (0.39) SRCGAAALDH1A1
SCHEMBL2561769 0.69 ALDH1A1 (0.40) RAB9ANPC1PDE4BPDE4APDE4C
SCHEMBL2556336 0.68 NPC1 (0.36) RAB9ANPC1PDE4BPDE4APDE4C
SCHEMBL7206497 0.67 CCR2 (0.41) RAB9ANPC1PDE4BPDE4APDE4C
SCHEMBL29954901 0.65 MEN1 (0.39) CCR2ALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed