SCHEMBL22181584

SCHEMBL22181584

O=C(O)C1CC1c1ccccc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.63
PTGER4 P35408 2/20 0.63
PTGER3 P43115 2/20 0.63
PTGER2 P43116 2/20 0.63
DRD2 P14416 1/20 0.63
DRD1 P21728 1/20 0.63
TBXA2R P21731 1/20 0.63
DRD4 P21917 1/20 0.63
DRD5 P21918 1/20 0.63
DRD3 P35462 1/20 0.63
PTGFR P43088 1/20 0.63
PTGIR P43119 1/20 0.63
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
HTR1A P08908 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
APP P05067 2/20 0.46
FAAH O00519 1/20 0.45

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
SCHEMBL1099056 0.87 PTGER3 (0.54) PTGER1PTGER4PTGER3PTGER2DRD2
SCHEMBL14880933 0.84 HTR2C (0.51) PTGER1PTGER4PTGER3PTGER2DRD2
SCHEMBL22181196 0.84 HTR2C (0.51) PTGER1PTGER4PTGER3PTGER2DRD2
SCHEMBL1208094 0.84 HTR2C (0.55) PTGER1PTGER4PTGER3PTGER2DRD2
SCHEMBL31562813 0.83 PTGER4 (0.53) PTGER1PTGER4PTGER3PTGER2DRD2
SCHEMBL22181470 0.78 HTR2C (0.68) DRD2HTR2CHTR2BHTR1ASLC6A2
SCHEMBL1208921 0.78 HTR2A (0.50) PTGER1PTGER4PTGER3PTGER2DRD2
SCHEMBL17103923 0.78 HTR2A (0.50) PTGER1PTGER4PTGER3PTGER2DRD2
SCHEMBL30483943 0.77 ALDH1A1 (0.55) PTGER1PTGER4PTGER3PTGER2DRD2
SCHEMBL18923955 0.77 CYP4F2 (0.58) SLC6A2SLC6A3KDM1A

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
WO-2020138398-A1 NOVEL COMPOUND INHIBITING LYSINE-SPECIFIC DEMETHYLATING ENZYME 1, METHOD FOR PRODUCING SAME, AND USE OF SAME 国立研究開発法人理化学研究所 2020-07-02 WO disclosed