SCHEMBL28232829

SCHEMBL28232829

CC(C)(C)NC(=O)OCCOc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 3/20 0.44
RECQL P46063 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
APP P05067 1/20 0.40
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL17162079 0.96 APP (0.47) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL28026417 0.93 POLB (0.45) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL28861886 0.93 LMNA (0.44) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL28904086 0.85 MEN1 (0.59) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL27982971 0.84 RAB9A (0.62) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL27574189 0.83 NPC1 (0.48) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL20874025 0.83 LMNA (0.49) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL28191611 0.82 ALDH1A1 (0.47) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL9855850 0.80 TP53 (0.47) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL9856033 0.79 ACACB (0.43) LMNATP53NPC1RAB9ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104039356-B For chitosan targeted delivery and that small molecule integrin antagonist is covalently attached 弗·哈夫曼-拉罗切有限公司 2018-08-17 CN disclosed