SCHEMBL24345953

SCHEMBL24345953

CCCCc1cc(C)cc(-n2nc3ccc(SCCCCCCOC(C)=O)cc3n2)c1O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 3/20 0.35
POLB P06746 2/20 0.33
PLK1 P53350 3/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ESR1 P03372 1/20 0.31
KDM4E B2RXH2 2/20 0.31
THRB P10828 3/20 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
SCHEMBL22451366 0.94 NPC1 (0.37) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL22451353 0.92 TSHR (0.37) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL22451177 0.90 TSHR (0.34) NPC1RAB9AALDH1A1POLBPLK1
SCHEMBL21262068 0.90 NPC1 (0.39) NPC1RAB9APOLBPLK1BCHE
SCHEMBL21261974 0.90 NPC1 (0.39) NPC1RAB9APOLBPLK1BCHE
SCHEMBL22451258 0.90 NPC1 (0.39) NPC1RAB9APOLBPLK1BCHE
SCHEMBL19199350 0.90 NPC1 (0.39) NPC1RAB9APOLBPLK1BCHE
SCHEMBL22451189 0.89 APP (0.34) NPC1RAB9AALDH1A1POLBPLK1
SCHEMBL22451374 0.89 NPC1 (0.35) NPC1RAB9APOLBPLK1KDM4E
SCHEMBL22549148 0.88 DGKA (0.36) NPC1RAB9AALDH1A1POLBPLK1

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-20220089838-A1 RESIN MOLDING MATERIAL, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING RESIN MEMBER OR THE LIKE MIYOSHI OIL & FAT CO., LTD. (JP) 2022-03-24 US disclosed