SCHEMBL5282852

SCHEMBL5282852

O=C(CCCCCCCCN(CC(F)(F)F)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 1/20 0.37
SIRT6 Q8N6T7 1/20 0.36
TMEM97 Q5BJF2 4/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
CES2 O00748 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL4175159 0.87 AR (0.46) ARMAPTRAB9AMAPK1SIRT6
SCHEMBL14625835 0.79 AR (0.37) ARRAB9ASMN1; SMN2
SCHEMBL4172806 0.76 ACHE (0.45) ARMAPTMAPK1ALDH1A1CYP3A4
SCHEMBL3047176 0.67 CYP3A4 (0.56) ARMAPTRAB9AMAPK1SIRT6
SCHEMBL14625278 0.67 ACHE (0.44) AR
SCHEMBL3054200 0.66 CYP3A4 (0.61) ARMAPTRAB9AMAPK1SIRT6
SCHEMBL4184038 0.66 TMEM97 (0.53) ARMAPK1TMEM97ALDH1A1CYP3A4
SCHEMBL3058238 0.65 CNR2 (0.43) ARMAPK1SIRT6TMEM97ALDH1A1
SCHEMBL4595549 0.65 AR (0.47) ARMAPTALDH1A1LMNACYP2C9
Trifluoroacetic Acid SCHEMBL3419464 0.64 AR (0.48) ARPGR

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-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO claimed