SCHEMBL30913006

SCHEMBL30913006

C=C1C(OC(C)=O)CCC2CCCC12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 2/20 0.36
CYP2D6 P10635 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM2 P08172 5/20 0.34
CHRM1 P11229 3/20 0.34
CHRM4 P08173 2/20 0.34
CHRM3 P20309 2/20 0.34
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.31
APOBEC3A P31941 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL14403838 0.77 SGMS1 (0.36)
SCHEMBL29402953 0.71 USP2 (0.40) USP2CYP3A4POLBALOX15TSHR
SCHEMBL30913005 0.68 CHRM2 (0.36) USP2CYP3A4MEN1CYP2D6KMT2A
SCHEMBL4358622 0.65 MEN1 (0.54) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL11122133 0.62 CHRM2 (0.43) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL20169575 0.62 MEN1 (0.47) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL24879344 0.62 MEN1 (0.41) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL27865953 0.62 MEN1 (0.41) MEN1CYP2D6KMT2AALDH1A1CHRM2
Hydrochloric Acid SCHEMBL28769363 0.61 MEN1 (0.42) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL137825 0.60

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-118043023-A Transparent aqueous perfume composition 威·曼父子有限公司 2024-05-14 CN disclosed