SCHEMBL9854916

SCHEMBL9854916

C=CCC1CCC(OC(=O)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CHRNA7 P36544 5/20 0.49
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
GAA P10253 1/20 0.44
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 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
SCHEMBL11499667 0.96 MEN1 (0.48) MEN1KMT2ACHRNA7CARM1PRMT6
SCHEMBL8473776 0.86 MEN1 (0.49) MEN1KMT2ACHRNA7CARM1PRMT6
SCHEMBL11127351 0.85 CYP2C9 (0.41) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL11127347 0.85 CYP2C9 (0.41) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL3356602 0.83 SMN1; SMN2 (0.39) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL3356599 0.83 SMN1; SMN2 (0.39) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL28356623 0.83 MEN1 (0.49) MEN1KMT2ACHRNA7CARM1PRMT6
SCHEMBL1786140 0.82 MEN1 (0.69) MEN1KMT2ACHRNA7CARM1PRMT6
SCHEMBL4453290 0.82 MEN1 (0.69) MEN1KMT2ACHRNA7CARM1PRMT6
SCHEMBL14626378 0.80 MEN1 (0.59) MEN1KMT2ACHRNA7CARM1PRMT6

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
JP-3011039-A None JP disclosed
JP-H0311039-A NOVEL AROMATIC ARBOXYLIC ACID ESTER COMPOUND ADEKA ARGUS CHEM CO LTD 1991-01-18 JP disclosed