SCHEMBL28612804

SCHEMBL28612804

NC(=O)OCCCOCCCCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ACHE P22303 6/20 0.41
LMNA P02545 2/20 0.39
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
TSHR P16473 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
HTR1A P08908 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5246720 0.91 LMNA (0.41) GAACYP4F2CYP4A11ACHELMNA
SCHEMBL2636144 0.91 ACHE (0.46) GAACYP4F2CYP4A11ACHELMNA
SCHEMBL22326322 0.91 ACHE (0.46) GAACYP4F2CYP4A11ACHELMNA
SCHEMBL3423352 0.91 ACHE (0.46) GAACYP4F2CYP4A11ACHELMNA
SCHEMBL11752286 0.91 ACHE (0.46) GAACYP4F2CYP4A11ACHELMNA
SCHEMBL23152128 0.91 ACHE (0.46) GAACYP4F2CYP4A11ACHELMNA
SCHEMBL28506271 0.89 MEN1 (0.48) GAACYP4F2CYP4A11ACHELMNA
SCHEMBL1132887 0.89
SCHEMBL28905459 0.88 MEN1 (0.52) GAACYP4F2CYP4A11ACHELMNA
SCHEMBL21647630 0.87 TSHR (0.46) GAACYP4F2CYP4A11ACHELMNA

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-108136044-B Imide-based proteolytic modulators and related methods of use 阿尔维纳斯运营股份有限公司 2021-08-10 CN disclosed