Phenol

Phenol

SCHEMBL8963230

Cc1cc(C2(c3ccc(OC#N)c(C)c3)CCCCC2)ccc1OC#N.Oc1ccccc1.Oc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.50
ESR2 Q92731 4/20 0.50
PPARA Q07869 1/20 0.48
ACHE P22303 1/20 0.43
LMNA P02545 4/20 0.39
ALOX12 P18054 3/20 0.39
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ADORA3 P0DMS8 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3421546 0.89 ESR1 (0.53) ESR1ESR2PPARAACHELMNA
SCHEMBL918949 0.89 ESR1 (0.53) ESR1ESR2PPARAACHELMNA
SCHEMBL30003792 0.89 ESR1 (0.53) ESR1ESR2PPARAACHELMNA
Phenol SCHEMBL8962972 0.79 ESR1 (0.54) ESR1ESR2ACHELMNAALOX12
Phenol SCHEMBL11021475 0.78 ESR1 (0.81) ESR1ESR2PPARAACHELMNA
Phenol SCHEMBL21194937 0.78 ESR1 (0.81) ESR1ESR2PPARAACHELMNA
SCHEMBL8961826 0.76 MAOA (0.36) ESR1ESR2PPARAALDH1A1MEN1
Phenol SCHEMBL2992180 0.75 ACHE (0.77) ESR1ESR2PPARAACHELMNA
Phenol SCHEMBL3002680 0.73 ACHE (0.73) ESR1ESR2PPARAACHELMNA
SCHEMBL9216407 0.72 ESR1 (0.39) ESR1ESR2PPARAACHELMNA

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-5563237-A INCLUDES A BISMALEIMIDE HARDENER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-08 US disclosed