Propanol

Propanol

SCHEMBL8926281

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4ncc(O)cn4)CC3)nc2)c1=O.CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4ncc(O)cn4)CC3)nc2)c1=O.CCCO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.46
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 2/20 0.37
ME2 P23368 2/20 0.36
ME1 P48163 2/20 0.36
ME3 Q16798 2/20 0.36
MCHR1 Q99705 4/20 0.36
RAB9A P51151 1/20 0.35
KCNH2 Q12809 2/20 0.33
MGLL Q99685 1/20 0.33
SCN9A Q15858 1/20 0.32
DEGS1 O15121 1/20 0.32

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
SCHEMBL8926249 0.90 DGAT1 (0.51) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8931691 0.89 DGAT1 (0.53) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8927419 0.88 DGAT1 (0.47) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8931762 0.87 DGAT1 (0.55) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8931712 0.86 MAPT (0.54) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8931121 0.85 DGAT1 (0.53) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL7878336 0.85 DGAT1 (0.53) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8931698 0.85 DGAT1 (0.56) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8927569 0.85 DGAT1 (0.53) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8814915 0.85 DGAT1 (0.51) DGAT1MAPTKDM4EALDH1A1LMNA

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-5607932-A Heterocyclic derivatives of azolones JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-04 US disclosed