SCHEMBL30769638

SCHEMBL30769638

CCCCCCOC(=O)/C=C(/C(=O)OCC)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.45
NAAA Q02083 3/20 0.44
ATM Q13315 1/20 0.41
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 2/20 0.39
HPGD P15428 1/20 0.39
EPHX1 P07099 1/20 0.38
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL10945592 0.85 NPSR1 (0.55) HCAR2NPSR1SMN1; SMN2GAA
SCHEMBL10945607 0.85 NPSR1 (0.55) HCAR2NPSR1SMN1; SMN2GAA
SCHEMBL5612673 0.81 ATM (0.46) HCAR2NAAAATMTSHRNPSR1
SCHEMBL5612679 0.81 ATM (0.46) HCAR2NAAAATMTSHRNPSR1
SCHEMBL5611993 0.79 NPSR1 (0.52) HCAR2NPSR1SMN1; SMN2GAA
SCHEMBL5611998 0.79 NPSR1 (0.52) HCAR2NPSR1SMN1; SMN2GAA
SCHEMBL5612661 0.78 NAAA (0.40) NAAATSHRNPSR1FAAHSMN1; SMN2
SCHEMBL5612684 0.77 NPSR1 (0.50) HCAR2ATMNPSR1HPGDHTT
SCHEMBL20530266 0.77 NPSR1 (0.50) HCAR2ATMNPSR1HPGDHTT
SCHEMBL5612678 0.77 NPSR1 (0.50) HCAR2ATMNPSR1HPGDHTT

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
CN-117756590-A Method for preparing alpha, beta unsaturated succinate compound 中国科学院大连化学物理研究所 2024-03-26 CN disclosed