SCHEMBL7684082

SCHEMBL7684082

[CH2]C(CCC(C)C(=O)OC(C)C)C(=O)OCCCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 4/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.38
ATM Q13315 1/20 0.37
FAAH O00519 1/20 0.35
ACE2 Q9BYF1 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NAAA Q02083 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL8171280 0.82 FAAH (0.39) ALDH1A1TSHRHPGDATMFAAH
SCHEMBL2167263 0.79 ALDH1A1 (0.50) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL16826935 0.79 ALDH1A1 (0.54) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL5208730 0.78 ALDH1A1 (0.36) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL8046834 0.78 LMNA (0.47) ALDH1A1TSHRLMNAATMMAPT
SCHEMBL6900329 0.77 LMNA (0.48) ALDH1A1TSHRLMNAATMFAAH
SCHEMBL18270594 0.77 LMNA (0.42) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL18270564 0.77 LMNA (0.42) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL5208726 0.76 ATM (0.39) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL7223143 0.76 CA1 (0.55) LMNAFAAHACE2CA1

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-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US disclosed