SCHEMBL29315629

SCHEMBL29315629

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
HDAC6 Q9UBN7 1/20 0.41
ESR1 P03372 2/20 0.40
TDP1 Q9NUW8 3/20 0.40
POLB P06746 2/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SERPINE1 P05121 1/20 0.36
GAA P10253 1/20 0.36

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 0.98 LMNA (0.44) NPC1RAB9ALMNAHDAC6ESR1
SCHEMBL29315636 0.97 HDAC6 (0.46) NPC1RAB9ALMNAHDAC6ESR1
SCHEMBL29315635 0.88 HDAC6 (0.47) NPC1RAB9ALMNAHDAC6ESR1
SCHEMBL24089398 0.88 TDP1 (0.41) NPC1RAB9ALMNAHDAC6ESR1
SCHEMBL6741249 0.86 HDAC6 (0.51) NPC1RAB9ALMNAHDAC6ESR1
SCHEMBL31361789 0.86 HDAC6 (0.51) NPC1RAB9ALMNAHDAC6ESR1
SCHEMBL4188814 0.86 TDP1 (0.46) NPC1RAB9ALMNATDP1POLB
SCHEMBL29315654 0.86 NPC1 (0.41) NPC1RAB9ALMNATDP1POLB
SCHEMBL24089433 0.85 NPC1 (0.36) NPC1RAB9ALMNAHDAC6ESR1
SCHEMBL29315656 0.85 NPC1 (0.40) NPC1RAB9ALMNATDP1POLB

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