SCHEMBL25917536

SCHEMBL25917536

CCC(O)(O)COC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCOC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 8/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MCL1 Q07820 1/20 0.41
RECQL P46063 1/20 0.41
CYP17A1 P05093 1/20 0.41
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 2/20 0.40
MTNR1A P48039 1/20 0.39

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
SCHEMBL9947412 0.95 SAE1 (0.44) NPC1RAB9ACASP1SMN1; SMN2ALDH1A1
SCHEMBL17550776 0.90 SAE1 (0.41) NPC1RAB9ACASP1SMN1; SMN2ALDH1A1
SCHEMBL17550343 0.87 SAE1 (0.39) NPC1RAB9ACASP1SMN1; SMN2ALDH1A1
SCHEMBL25917538 0.86 NPC1 (0.41) NPC1RAB9ACASP1SMN1; SMN2ALDH1A1
SCHEMBL25917537 0.85 SMN1; SMN2 (0.50) NPC1RAB9ACASP1SMN1; SMN2ALDH1A1
SCHEMBL17547614 0.85 SAE1 (0.43) NPC1RAB9ACASP1SMN1; SMN2ALDH1A1
SCHEMBL27101167 0.84 SAE1 (0.49) NPC1RAB9ACASP1SMN1; SMN2ALDH1A1
SCHEMBL11119637 0.84 SAE1 (0.49) NPC1RAB9ACASP1SMN1; SMN2ALDH1A1
SCHEMBL12034945 0.82 SMN1; SMN2 (0.56) NPC1RAB9ACASP1SMN1; SMN2ALDH1A1
SCHEMBL17549591 0.81 SAE1 (0.40) NPC1RAB9ACASP1SMN1; SMN2ALDH1A1

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-20230235443-A2 STRUCTURALLY-COLORED ARTICLES AND METHODS FOR MAKING AND USING STRUCTURALLY-COLORED ARTICLES NIKE, INC. 2023-07-27 US disclosed