Phenol

Phenol

SCHEMBL27470656

C=CC(=O)NCO.Oc1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.48
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GLA P06280 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MAOA P21397 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
Resorcinol SCHEMBL28847319 0.87 ALDH1A1 (0.43) TGM2ALDH1A1TDP1TSHRMAPK1
Phenol SCHEMBL27944565 0.84 TGM2 (0.47) TGM2ALDH1A1TDP1TSHRMAPK1
Styrene SCHEMBL9776463 0.84 ALDH1A1 (0.50) TGM2ALDH1A1TDP1TSHRMAPK1
Toluene SCHEMBL27520763 0.84 TGM2 (0.49) TGM2ALDH1A1TDP1TSHRMAPK1
Phenol SCHEMBL28117778 0.83 TGM2 (0.56) TGM2ALDH1A1MMP1MMP2MMP9
SCHEMBL8838968 0.82 TGM2 (0.60) TGM2ALDH1A1CYP3A4CYP2C9CYP2C19
Phenol SCHEMBL28345445 0.82 MMP1 (0.60) TGM2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8090612 0.82 TGM2 (0.46) TGM2ALDH1A1TDP1TSHRMAPK1
Salicylic Acid SCHEMBL30357100 0.82 KDM4E (0.56) TGM2ALDH1A1TDP1TSHRCA12
Phenol SCHEMBL28200405 0.82 TGM2 (0.58) TGM2KMT2A

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-1163634-A DNA encoding human papillomavirus type 6a MERCK & CO INC (US) 1997-10-29 CN disclosed