SCHEMBL8474335

SCHEMBL8474335

CCCC1CCC(C2CCC(OC(=O)c3ccccc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
CHRNA7 P36544 5/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL2770924 0.96 MEN1 (0.56) MEN1KMT2ACARM1PRMT6CHRNA7
SCHEMBL16425705 0.96 MEN1 (0.56) MEN1KMT2ACARM1PRMT6CHRNA7
SCHEMBL14268567 0.89 MEN1 (0.55) MEN1KMT2ACARM1PRMT6CHRNA7
SCHEMBL27395304 0.89 MEN1 (0.55) MEN1KMT2ACARM1PRMT6CHRNA7
SCHEMBL13135352 0.88 CYP2C9 (0.51) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL6696396 0.88 CYP2C9 (0.44) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL5835906 0.88 CYP2C9 (0.44) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL14096170 0.88 ESR1 (0.46) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL10799986 0.88 CYP2C9 (0.44) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL6696392 0.88 CYP2C9 (0.44) MEN1KMT2ASCN1ASCN2ASCN3A

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
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed