SCHEMBL6418267

SCHEMBL6418267

[CH2]C(C)(C(=O)OCCCC)C(CCCC)C(=C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.36
CA2 P00918 3/20 0.35
CA1 P00915 2/20 0.35
ATM Q13315 2/20 0.34
MAPK1 P28482 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
ALOX5 P09917 3/20 0.33
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
PTGES O14684 2/20 0.32
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 2/20 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
SCHEMBL6417771 0.85 HCAR2 (0.31) HCAR2
SCHEMBL7736024 0.76 CA2 (0.44) HPGDCA2CA1MAPK1
SCHEMBL128354 0.70 ALDH1A1 (0.52) ALDH1A1TSHRHPGDATMMAPK1
SCHEMBL5268023 0.70 HSPD1 (0.45) HPGDCA2
SCHEMBL8757961 0.69 TSHR (0.47) ALDH1A1TSHRHPGDCA2CA1
SCHEMBL13518008 0.69 ALDH1A1 (0.39) ALDH1A1TSHRHPGDCA2CA1
Hydrogen Peroxide SCHEMBL27858511 0.69 ALDH1A1 (0.54) ALDH1A1TSHRHPGDATMMAPK1
SCHEMBL3261112 0.69 CA2 (0.56) CA2CA1MAPK1
SCHEMBL20544767 0.68 LMNA (0.42) ALDH1A1TSHRHPGDCA2CA1
SCHEMBL29056390 0.67 CA2 (0.50) TSHRCA2CA1ATMMAPK1

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-20050063282-A1 Diffractive optical element and optical pickup apparatus KONICA MINOLTA OPTO, INC. 2005-03-24 US disclosed