SCHEMBL9628973

SCHEMBL9628973

CCOC(=O)/C(=C\C(=O)O)CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
HCAR2 Q8TDS4 1/20 0.39
GLO1 Q04760 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
FAAH O00519 2/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9471296 1.00 NPSR1 (0.42) NPSR1HCAR2GLO1ALDH1A1CYP2D6
SCHEMBL11398954 0.85 NPSR1 (0.42) NPSR1HCAR2GLO1ALDH1A1CYP2D6
SCHEMBL11290888 0.85 NPSR1 (0.57) NPSR1HCAR2GLO1ALDH1A1CYP2D6
SCHEMBL8165735 0.84 NPSR1 (0.45) NPSR1HCAR2GLO1ALDH1A1CYP2D6
SCHEMBL8844397 0.83 NPSR1 (0.41) NPSR1HCAR2GLO1ALDH1A1CYP2D6
SCHEMBL4795564 0.83 FAAH (0.44) NPSR1HCAR2GLO1ALDH1A1CYP2D6
SCHEMBL7640896 0.82 TSHR (0.38) TSHRKDM4E
SCHEMBL7772532 0.82 NPSR1 (0.47) NPSR1HCAR2GLO1ALDH1A1CYP2D6
SCHEMBL703761 0.82 NPSR1 (0.47) NPSR1HCAR2GLO1ALDH1A1CYP2D6
SCHEMBL7774727 0.82 NPSR1 (0.47) NPSR1HCAR2GLO1ALDH1A1CYP2D6

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
EP-0255399-B1 PROCESS DAVY McKEE (LONDON) LIMITED (GB) 1992-03-11 EP claimed