SCHEMBL29135063

SCHEMBL29135063

Cc1cc(-c2ccc(O)cc2)c(C)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.45
ESR2 Q92731 7/20 0.44
ESR1 P03372 8/20 0.42
ABL1 P00519 3/20 0.42
ABCB1 P08183 3/20 0.42
BCR P11274 3/20 0.42
HSD17B1 P14061 1/20 0.42
USP7 Q93009 2/20 0.41
ACHE P22303 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
Phenol SCHEMBL27743580 0.86 ESR2 (0.53) ESR2ESR1ABL1ABCB1BCR
Phenol SCHEMBL28119667 0.86 ESR2 (0.53) ESR2ESR1ABL1ABCB1BCR
Phenol SCHEMBL5340750 0.86 ESR2 (0.53) ESR2ESR1ABL1ABCB1BCR
SCHEMBL16581409 0.83 SENP1 (0.52) SENP1ESR2ESR1ABL1ABCB1
SCHEMBL3811802 0.83 SENP1 (0.47) SENP1ESR2ESR1ABL1ABCB1
SCHEMBL10190451 0.81 ESR2 (0.56) SENP1ESR2ESR1ABL1ABCB1
SCHEMBL8373544 0.81 ESR1 (0.44) SENP1ESR2ESR1ABL1ABCB1
SCHEMBL28219529 0.80 SENP1 (0.46) SENP1ESR2ESR1ABL1ABCB1
Hydrogen Peroxide SCHEMBL28104708 0.80 ESR2 (0.50) ESR2HSD17B10
SCHEMBL6572863 0.78 ESR2 (0.44) ESR2HSD17B10

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-111511800-B Environment-compatible detergent for inactivating lipid-enveloped viruses 武田药品工业株式会社 2023-11-28 CN disclosed