SCHEMBL8476244

SCHEMBL8476244

CC(C)(NC(=O)OCc1ccccc1)C(=O)OCCl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CTSS P25774 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
SYK P43405 1/20 0.46
ATM Q13315 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
AAK1 Q2M2I8 1/20 0.43

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
SCHEMBL7861922 0.92 MEN1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL15056984 0.87 KMT2A (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL22468533 0.87 MEN1 (0.66) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1151094 0.84 MEN1 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7862038 0.83 MEN1 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10349980 0.83 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL503402 0.83 MEN1 (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6444094 0.82 MEN1 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1728479 0.81 SYK (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2268248 0.81 MEN1 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017210489-A1 COMPOUNDS M3 BIOTECHNOLOGY, INC. (US) 2017-12-07 WO disclosed
US-5981558-A ANTIMICROBIAL ACTIVITY AND ANTITUMOR ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-11-09 US disclosed
EP-0918058-A1 DC 107 DERIVATIVES (1) KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-05-26 EP disclosed