SCHEMBL29315627

SCHEMBL29315627

CC(C)C(=O)OCCOC(=O)c1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
LMNA P02545 1/20 0.48
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ESR1 P03372 4/20 0.41
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
TYR P14679 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HSD17B2 P37059 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ESR2 Q92731 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL6741249 0.85 HDAC6 (0.51) NPC1RAB9ALMNACA12CA1
SCHEMBL31361789 0.85 HDAC6 (0.51) NPC1RAB9ALMNACA12CA1
SCHEMBL29466455 0.85 RAB9A (0.58) NPC1RAB9ALMNACA12CA1
SCHEMBL3963768 0.85 RAB9A (0.58) NPC1RAB9ALMNACA12CA1
SCHEMBL29315651 0.84 IARS1 (0.48) NPC1RAB9ALMNAKDM4EPOLB
SCHEMBL29315601 0.84 NPC1 (0.48) NPC1RAB9ALMNACA1CA2
SCHEMBL24213341 0.83 ESR1 (0.51) NPC1RAB9ALMNAESR1HDAC6
SCHEMBL31309186 0.83 ESR1 (0.51) NPC1RAB9ALMNAESR1HDAC6
SCHEMBL29315692 0.83 NPC1 (0.44) NPC1RAB9ALMNACA12CA1
SCHEMBL29315598 0.82 NPC1 (0.46) NPC1RAB9ALMNAKDM4EPOLB

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
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed