SCHEMBL11311531

SCHEMBL11311531

O=C(O)CC1CC(c2ccccc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 4/20 0.40
EDNRA P25101 1/20 0.38
FFAR1 O14842 1/20 0.38
EGFR P00533 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL7552511 0.87 KDM1A (0.42) TP53L3MBTL1MTNR1AMTNR1BMEN1
SCHEMBL11316242 0.83 TP53 (0.41) TP53L3MBTL1MTNR1AMTNR1BMEN1
SCHEMBL11311499 0.81 CYP1A2 (0.45) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL11523163 0.80 FFAR1 (0.43) TP53L3MBTL1FFAR1EGFR
SCHEMBL21978182 0.77 TP53 (0.41) TP53L3MBTL1FFAR1EGFR
SCHEMBL31326550 0.77 TP53 (0.41) TP53L3MBTL1FFAR1EGFR
SCHEMBL11015326 0.77 SLC6A2 (0.42) TP53L3MBTL1FFAR1EGFR
SCHEMBL11308894 0.77 SIGMAR1 (0.41) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL13051100 0.77 SIGMAR1 (0.47) MEN1KMT2ASIGMAR1HTR2AHTR2C
SCHEMBL13050842 0.75 OPRM1 (0.47) MTNR1AMTNR1BMEN1CYP1A2CYP3A4

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-4246281-A ANTIINFLAMMATORY AGENTS LILLY INDUSTRIES LIMITED (GB) 1981-01-20 US disclosed