SCHEMBL9739370

SCHEMBL9739370

CC(C)Oc1cc(OC(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 0.45
LMNA P02545 3/20 0.43
HTR2A P28223 1/20 0.43
CYP19A1 P11511 3/20 0.43
VCAM1 P19320 1/20 0.41
ALDH1A1 P00352 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
POLB P06746 1/20 0.38
ALOX5 P09917 2/20 0.37

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
SCHEMBL16588340 0.89 TSHR (0.59) HTTMEN1KMT2AMAPTNPC1
SCHEMBL28330166 0.87 MEN1 (0.41) HTTMEN1KMT2AMAPTNPC1
SCHEMBL10174909 0.87 CHRNB4 (0.45) HTTMEN1KMT2AMAPTNPC1
SCHEMBL16957626 0.87 MEN1 (0.41) HTTMEN1KMT2AMAPTNPC1
SCHEMBL10174929 0.87 MEN1 (0.43) HTTMEN1KMT2AMAPTNPC1
SCHEMBL31413307 0.87 CHRNB4 (0.45) HTTMEN1KMT2AMAPTNPC1
SCHEMBL14017959 0.84 ALDH1A3 (0.47) HTTMEN1KMT2AMAPTNPC1
SCHEMBL16952871 0.84 MEN1 (0.40) HTTMEN1KMT2AMAPTNPC1
SCHEMBL16952869 0.84 MEN1 (0.46) HTTMEN1KMT2AMAPTNPC1
SCHEMBL16960810 0.83 MAPT (0.42) HTTMEN1KMT2AMAPTNPC1

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
WO-1992006956-A1 INDENOINDOLE COMPOUNDS UNIVERSITY OF BATH (GB) 1992-04-30 WO disclosed