SCHEMBL9469167

SCHEMBL9469167

C=COC(=O)CC=CC(=O)OCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.54
ATM Q13315 1/20 0.50
TSHR P16473 5/20 0.47
HPGD P15428 1/20 0.47
APP P05067 4/20 0.45
NAAA Q02083 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
FAAH O00519 1/20 0.40
RAD52 P43351 1/20 0.40

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
SCHEMBL17749669 0.83 HCAR2 (0.67) HCAR2ATMTSHRHPGDAPP
SCHEMBL5464973 0.82 TSHR (0.59) HCAR2ATMTSHRHPGDAPP
SCHEMBL9508425 0.80 HCAR2 (0.63) HCAR2ATMTSHRHPGDAPP
SCHEMBL8526243 0.80 HCAR2 (0.63) HCAR2ATMTSHRHPGDAPP
SCHEMBL8601583 0.80 HCAR2 (0.63) HCAR2ATMTSHRHPGDAPP
SCHEMBL8601584 0.80 HCAR2 (0.63) HCAR2ATMTSHRHPGDAPP
SCHEMBL9508429 0.80 HCAR2 (0.63) HCAR2ATMTSHRHPGDAPP
SCHEMBL3306422 0.80 HCAR2 (0.63) HCAR2ATMTSHRHPGDAPP
SCHEMBL31023281 0.80 HCAR2 (0.67) HCAR2ATMTSHRHPGDAPP
SCHEMBL31023271 0.80 HCAR2 (0.67) HCAR2ATMTSHRHPGDAPP

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-5208314-A Polyurethanes, Addition Polymerizing Solvent, Free Radical Catalysts DAP PRODUCTS INC. (US) 1993-05-04 US disclosed