SCHEMBL29315636

SCHEMBL29315636

C=C(C)C(=O)OCCCCCCOC(=O)c1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ESR1 P03372 3/20 0.40
TSHR P16473 2/20 0.39
CNR2 P34972 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM4A O75164 1/20 0.37
KDM4C Q9H3R0 1/20 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
SCHEMBL29315633 0.99 LMNA (0.44) HDAC6TDP1POLBAPEX1HTT
SCHEMBL29315629 0.97 NPC1 (0.44) HDAC6TDP1POLBAPEX1HTT
SCHEMBL29315635 0.92 HDAC6 (0.47) HDAC6TDP1LMNANPC1RAB9A
SCHEMBL6741249 0.90 HDAC6 (0.51) HDAC6TDP1LMNANPC1RAB9A
SCHEMBL31361789 0.90 HDAC6 (0.51) HDAC6TDP1LMNANPC1RAB9A
SCHEMBL24089398 0.89 TDP1 (0.41) HDAC6TDP1POLBAPEX1HTT
SCHEMBL31309186 0.87 ESR1 (0.51) HDAC6LMNANPC1RAB9AESR1
SCHEMBL24213341 0.87 ESR1 (0.51) HDAC6LMNANPC1RAB9AESR1
SCHEMBL29315607 0.86 TDP1 (0.50) TDP1POLBAPEX1HTTLMNA
SCHEMBL29315656 0.86 NPC1 (0.40) TDP1POLBAPEX1HTTLMNA

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