SCHEMBL29315635

SCHEMBL29315635

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ESR1 P03372 3/20 0.41
CNR2 P34972 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL31361789 0.92 HDAC6 (0.51) HDAC6LMNANPC1RAB9AESR1
SCHEMBL6741249 0.92 HDAC6 (0.51) HDAC6LMNANPC1RAB9AESR1
SCHEMBL29315636 0.92 HDAC6 (0.46) HDAC6LMNANPC1RAB9AESR1
SCHEMBL29315633 0.90 LMNA (0.44) HDAC6LMNANPC1RAB9AESR1
SCHEMBL24213341 0.89 ESR1 (0.51) HDAC6LMNANPC1RAB9AESR1
SCHEMBL31309186 0.89 ESR1 (0.51) HDAC6LMNANPC1RAB9AESR1
SCHEMBL29315629 0.88 NPC1 (0.44) HDAC6LMNANPC1RAB9AESR1
SCHEMBL29315702 0.87 HDAC6 (0.47) HDAC6LMNANPC1RAB9AESR1
SCHEMBL29315612 0.86 NPC1 (0.46) LMNANPC1RAB9ATDP1KDM4E
SCHEMBL29315697 0.83 NPC1 (0.42) HDAC6LMNANPC1RAB9AESR1

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