Phenol

Phenol

SCHEMBL28097885

C=CCc1c(C)cccc1O.Oc1ccccc1.S

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 4/20 0.39
TRPA1 O75762 2/20 0.37
ATM Q13315 1/20 0.37
GLA P06280 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
NLRP3 Q96P20 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35

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
Hydrogen Sulfide SCHEMBL28097887 0.92 TRPA1 (0.43) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL2321816 0.90 TRPA1 (0.45) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL30023289 0.90 TRPA1 (0.45) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL27958462 0.90 TRPA1 (0.45) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL27777553 0.88 TRPA1 (0.43) MEN1KMT2AMAPTPOLBMAPK1
Formaldehyde SCHEMBL28639118 0.86 TRPA1 (0.42) MEN1KMT2AMAPTPOLBMAPK1
Phenol SCHEMBL27814865 0.86 GLA (0.44) MEN1KMT2AMAPTPOLBMAPK1
Acetic Acid SCHEMBL27644841 0.85 MTNR1A (0.40) MEN1KMT2AMAPTPOLBMAPK1
Formaldehyde SCHEMBL27713859 0.85 TRPA1 (0.41) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL28781373 0.83 SRD5A1 (0.40) MEN1KMT2AMAPTPOLBMAPK1

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
CN-106065087-A Flame retardant flame retardant composition and molded body and manufacturing method thereof 双键化工(上海)有限公司 2016-11-02 CN disclosed