SCHEMBL29315633

SCHEMBL29315633

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
ESR1 P03372 2/20 0.40
CNR2 P34972 1/20 0.38
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
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL29315636 0.99 HDAC6 (0.46) LMNANPC1RAB9AHDAC6TDP1
SCHEMBL29315629 0.98 NPC1 (0.44) LMNANPC1RAB9AHDAC6TDP1
SCHEMBL29315635 0.90 HDAC6 (0.47) LMNANPC1RAB9AHDAC6TDP1
SCHEMBL24089398 0.90 TDP1 (0.41) LMNANPC1RAB9AHDAC6TDP1
SCHEMBL6741249 0.89 HDAC6 (0.51) LMNANPC1RAB9AHDAC6TDP1
SCHEMBL31361789 0.89 HDAC6 (0.51) LMNANPC1RAB9AHDAC6TDP1
SCHEMBL29315656 0.87 NPC1 (0.40) LMNANPC1RAB9ATDP1POLB
SCHEMBL24089411 0.86 HDAC6 (0.44) LMNANPC1RAB9AHDAC6TDP1
SCHEMBL29315604 0.86 TDP1 (0.48) LMNANPC1RAB9ATDP1POLB
SCHEMBL29315654 0.86 NPC1 (0.41) LMNANPC1RAB9ATDP1POLB

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