SCHEMBL30708564

SCHEMBL30708564

CCCCC[C@H]1CC[C@H](OC(=O)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
CHRNA7 P36544 4/20 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
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
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
BCHE P06276 1/20 0.44

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
SCHEMBL28116160 1.00 MEN1 (0.52) MEN1KMT2ACARM1PRMT6CHRNA7
SCHEMBL11402261 0.99 MEN1 (0.51) MEN1KMT2ACARM1PRMT6CHRNA7
SCHEMBL28232676 0.92 SCN1A (0.57) MEN1KMT2ACARM1PRMT6CHRNA7
SCHEMBL16425705 0.90 MEN1 (0.56) MEN1KMT2ACARM1PRMT6CHRNA7
SCHEMBL2770924 0.90 MEN1 (0.56) MEN1KMT2ACARM1PRMT6CHRNA7
SCHEMBL8474335 0.86 MEN1 (0.52) MEN1KMT2ACARM1PRMT6CHRNA7
SCHEMBL11413456 0.85 CYP2C9 (0.54) MEN1KMT2AALDH1A1HTTSCN1A
SCHEMBL11042479 0.84 HTT (0.46) MEN1KMT2AALDH1A1HTTSCN1A
SCHEMBL11413218 0.84 CYP2C9 (0.53) MEN1KMT2AALDH1A1HTTSCN1A
SCHEMBL9590488 0.84 TP53 (0.48) ALDH1A1HTTLMNA

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
CN-115161035-B Light response cholesteric liquid crystal gel, preparation method and application thereof 华中科技大学 2023-10-20 CN claimed
CN-115161035-B Light response cholesteric liquid crystal gel, preparation method and application thereof 华中科技大学 2023-10-20 CN disclosed