SCHEMBL9207671

SCHEMBL9207671

CCCC[CH]CC1CCC(C(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LIPA P38571 1/20 0.34
CYP1A2 P05177 1/20 0.32
PAX8 Q06710 1/20 0.31

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
SCHEMBL4167546 0.86
SCHEMBL5259200 0.78 CYP1A2 (0.48) CYP1A2
SCHEMBL62543 0.78 THRA (0.36) CYP1A2
SCHEMBL1524679 0.76 CYP1A2 (0.52) CYP1A2
SCHEMBL491261 0.73
SCHEMBL1524844 0.72 CYP1A2 (0.46) CYP1A2
SCHEMBL9207678 0.72 CYP1A2 (0.46) KMT2AMEN1LIPACYP1A2
SCHEMBL27267963 0.71 CYP1A2 (0.50) KMT2AMEN1CYP1A2
SCHEMBL9213021 0.71 CYP1A2 (0.45) CYP1A2
SCHEMBL1840094 0.70 LIPA (0.47) KMT2ALIPA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed