SCHEMBL11298565

SCHEMBL11298565

CC=CC(=O)OCCCCC(C)(C)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
HCAR2 Q8TDS4 4/20 0.43
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
APP P05067 7/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.35
GSTP1 P09211 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8669692 0.84 ATM (0.60) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL20875236 0.84 ATM (0.60) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL15226983 0.83 HCAR2 (0.44) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL25174772 0.82 ATM (0.64) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL28872434 0.82 ATM (0.58) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL20875241 0.82 ATM (0.58) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL345838 0.81 ATM (0.52) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL20913247 0.80 ATM (0.60) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL3363127 0.79 HCAR2 (0.50) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL8899370 0.79 ATM (0.43) ATMHCAR2TSHRALDH1A1CYP3A4

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
JP-57131226-A None JP disclosed
JP-S57131226-A POLYMERIZABLE QUATERNARY AMMONIUM SALT NIPPON OIL & FATS CO LTD 1982-08-14 JP disclosed