SCHEMBL9561799

SCHEMBL9561799

CCC=CC(=O)OCCCCCCCCC

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.68
ATM Q13315 1/20 0.64
APP P05067 4/20 0.54
NAAA Q02083 1/20 0.52
TSHR P16473 3/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
EPHX1 P07099 1/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PRKCA P17252 1/20 0.46

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
SCHEMBL28108181 1.00 HCAR2 (0.68) HCAR2ATMAPPNAAATSHR
SCHEMBL9561263 1.00 HCAR2 (0.68) HCAR2ATMAPPNAAATSHR
SCHEMBL9111143 1.00 HCAR2 (0.68) HCAR2ATMAPPNAAATSHR
SCHEMBL27672601 0.98 HCAR2 (0.67) HCAR2ATMAPPNAAATSHR
SCHEMBL9561881 0.92 ATM (0.76) HCAR2ATMAPPNAAATSHR
SCHEMBL690840 0.92 ATM (0.76) HCAR2ATMAPPNAAATSHR
SCHEMBL690841 0.92 ATM (0.76) HCAR2ATMAPPNAAATSHR
SCHEMBL18209632 0.88 HCAR2 (0.85) HCAR2ATMAPPNAAATSHR
SCHEMBL1305378 0.88 HCAR2 (0.85) HCAR2ATMAPPNAAATSHR
SCHEMBL7780534 0.88 HCAR2 (0.85) HCAR2ATMAPPNAAATSHR

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-5189182-A Catalytic cyclization BASF AKTIENGESELLSCHAFT (DE) 1993-02-23 US disclosed