SCHEMBL8558701

SCHEMBL8558701

CC(Oc1ccc(OC(=O)C2(c3ccc(OC(C)c4nc5ccccc5[nH]4)cc3)ON2C)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KLF5 Q13887 1/20 0.40
MLKL Q8NB16 3/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.37
IDO1 P14902 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
ALOX12 P18054 1/20 0.36
PKM P14618 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL5532731 0.75 NPC1 (0.54) LMNASMN1; SMN2NPC1RAB9AKLF5
SCHEMBL5530550 0.73 RAB9A (0.58) LMNASMN1; SMN2NPC1RAB9AKLF5
SCHEMBL9427792 0.72 MLKL (0.53) LMNASMN1; SMN2NPC1RAB9AKLF5
SCHEMBL8556483 0.71 RAB9A (0.45) LMNASMN1; SMN2NPC1RAB9AKLF5
SCHEMBL5515761 0.70 RAB9A (0.48) LMNASMN1; SMN2NPC1RAB9AKLF5
SCHEMBL9427505 0.69 ALOX5 (0.46) LMNASMN1; SMN2NPC1RAB9AKLF5
SCHEMBL8557729 0.69 PDE10A (0.43) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7596328 0.67 KMT2A (0.47) LMNASMN1; SMN2NPC1RAB9AKLF5
SCHEMBL5517429 0.67 RAB9A (0.46) LMNASMN1; SMN2NPC1RAB9AKLF5
SCHEMBL5443699 0.67 PPARA (0.48) LMNASMN1; SMN2NPC1RAB9AKMT2A

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
US-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed