SCHEMBL28343245

SCHEMBL28343245

O=C(CCCc1ccccc1)COC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
KMT2A Q03164 5/20 0.54
SLC6A3 Q01959 2/20 0.54
SLC6A2 P23975 1/20 0.54
HDAC3 O15379 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53

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
SCHEMBL10473348 0.83 ALDH1A1 (0.58) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL28343655 0.82 HDAC1 (0.55) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL28216122 0.82 LMNA (0.59) TDP1NPC1RAB9AKMT2ASLC6A3
SCHEMBL28340753 0.82 ALDH1A1 (0.57) NPC1KMT2ASLC6A3HDAC3HDAC1
SCHEMBL7044306 0.81 HCAR2 (0.55) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL4586692 0.80 TDP1 (0.63) TDP1NPC1RAB9AKMT2ASLC6A3
SCHEMBL17703589 0.80 RAB9A (0.61) TDP1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL839075 0.80 TDP1 (0.75) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL28340752 0.79 HDAC3 (0.51) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL714123 0.79 TDP1 (0.57) TDP1NPC1RAB9AKMT2ASLC6A3

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
CN-110668937-B Method for preparing ester compound from amide 徐州医科大学 2022-04-19 CN disclosed
CN-110668937-A Method for preparing ester compound from amide 徐州医科大学 2020-01-10 CN disclosed