Phenol

SCHEMBL28850520

CCCCCCCCCCCCCCCCCCc1c(C=CC(=O)O)cc(C(C)(C)C)c(O)c1C(C)(C)C.Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ESR1	P03372	4/20	0.40

▸	ESR2	Q92731	3/20	0.40

▸	TNFRSF1A	P19438	1/20	0.40

▸	PLA2G2D	Q9UNK4	1/20	0.39

▸	F2R	P25116	1/20	0.36

▸	ATG4B	Q9Y4P1	11/20	0.36

▸	PLA2G1B	P04054	9/20	0.36

▸	THRA	P10827	1/20	0.36

▸	THRB	P10828	1/20	0.36

▸	CYP1A2	P05177	1/20	0.36

▸	TDP1	Q9NUW8	1/20	0.36

▸	RECQL	P46063	1/20	0.36

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.

Compound	similarity	top predicted	shared targets
SCHEMBL180577	0.94	ESR1 (0.38)	ESR1ESR2TNFRSF1AATG4BPLA2G1B
SCHEMBL699096	0.89	GABBR2 (0.40)	ESR1TNFRSF1ACYP1A2
SCHEMBL10530884	0.80	GABBR2 (0.37)	TNFRSF1ACYP1A2TDP1RECQL
SCHEMBL11301999	0.79	GABBR2 (0.41)	ESR1TNFRSF1ACYP1A2RECQL
SCHEMBL696524	0.78	GABBR2 (0.38)	ESR1TNFRSF1ACYP1A2
Benzoic Acid SCHEMBL25432148	0.74	KAT8 (0.41)	F2R
SCHEMBL226460	0.74	KAT8 (0.45)	—
SCHEMBL6866539	0.74	KAT8 (0.45)	—
SCHEMBL205695	0.74	KAT8 (0.45)	—
SCHEMBL227902	0.74	KAT8 (0.45)	—

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-104245807-B	Foamable compositions, foams, and articles thereof	陶氏环球技术有限责任公司	2017-09-05	—	—	CN	disclosed