SCHEMBL5493344

SCHEMBL5493344

CCc1ccc(O)c(-c2ccccc2O)c1.OCCCCc1ccc(O)c(-c2ccccc2O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
ALOX15 P16050 5/20 0.45
IGF1R P08069 4/20 0.45
BCHE P06276 2/20 0.45
BACE1 P56817 2/20 0.44
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4284679 0.92 IGF1R (0.51) CNR1CNR2ALOX15IGF1RBCHE
SCHEMBL4288864 0.86 TRPA1 (0.57) CNR1CNR2ALOX15BACE1TRPA1
SCHEMBL9625122 0.83 CNR1 (0.61) CNR1CNR2ALDH1A1LMNAKDM4E
SCHEMBL721719 0.79 CNR1 (0.81) CNR1CNR2ALOX15IGF1RBACE1
SCHEMBL10770170 0.77 TRPA1 (0.59) CNR1CNR2ALOX15TRPA1ALDH1A1
SCHEMBL29763176 0.77 TRPA1 (0.70) CNR1CNR2ALOX15BACE1TRPA1
SCHEMBL8047684 0.77 TRPA1 (0.70) CNR1CNR2ALOX15BACE1TRPA1
SCHEMBL10435018 0.76 GPR3 (0.56) ALOX15IGF1RALDH1A1LMNAKDM4E
SCHEMBL25383045 0.76 CNR1 (0.88) CNR1CNR2ALOX15IGF1RBACE1
SCHEMBL9111608 0.76 CYP4F2 (0.58) ALOX15IGF1RBCHECYP4F2CYP4A11

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-7211700-B2 Non-halogenated phenyl substituted phenols, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC. (US) 2007-05-01 US disclosed