SCHEMBL30746608

SCHEMBL30746608

Oc1ccc(C2CC2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QDPR P09417 5/20 0.50
ACMSD Q8TDX5 2/20 0.46
ESR2 Q92731 7/20 0.45
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
WDR5 P61964 1/20 0.39
ESR1 P03372 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PRKCZ Q05513 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37

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
SCHEMBL15729348 1.00 QDPR (0.50) QDPRACMSDESR2HDAC4HDAC2
SCHEMBL7149585 0.92 ESR2 (0.55) QDPRACMSDESR2HDAC4HDAC2
SCHEMBL7149586 0.92 ESR2 (0.55) QDPRACMSDESR2HDAC4HDAC2
SCHEMBL10021047 0.92 ACMSD (0.51) QDPRACMSDESR2HDAC4HDAC2
SCHEMBL21237804 0.91 ESR2 (0.56) QDPRACMSDESR2WDR5ESR1
SCHEMBL30215678 0.90 ACMSD (0.57) QDPRACMSDESR2HDAC4HDAC2
SCHEMBL21630424 0.90 ACMSD (0.57) QDPRACMSDESR2HDAC4HDAC2
SCHEMBL13072706 0.90 ACMSD (0.57) QDPRACMSDESR2HDAC4HDAC2
SCHEMBL21527334 0.87 QDPR (0.71) QDPRACMSDESR2
SCHEMBL31063246 0.87 QDPR (0.43) QDPRACMSDESR2ESR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4551558-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS Nested Therapeutics, Inc. (US) 2025-05-14 EP disclosed
WO-2024010925-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed