SCHEMBL7789171

SCHEMBL7789171

CC(C)Oc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 5/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.53
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
TP53 P04637 1/20 0.51
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4686698 0.86 MAPT (0.72) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL31067505 0.85 MAPT (0.67) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4470153 0.85 MAPT (0.67) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL10939515 0.84 SRD5A2 (0.63) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15281240 0.84 KMT2A (0.59) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL7787638 0.81 MAPT (0.64) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3234327 0.81 CES2 (0.68) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7671999 0.81 TSHR (0.55) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL14984182 0.81 ALDH1A1 (0.60) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL181572 0.81 CES2 (0.78) MEN1KMT2AMAPTALDH1A1LMNA

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed