SCHEMBL11765992

SCHEMBL11765992

CCOC(=O)C1CCCN(C(=O)OCc2ccccc2)C1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
PREP P48147 3/20 0.49
ACE2 Q9BYF1 2/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
GFER P55789 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL11761514 0.94 L3MBTL1 (0.46) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL11765435 0.93 NPSR1 (0.51) TSHRL3MBTL1KDM4ELMNAPREP
Hydrochloric Acid SCHEMBL11765503 0.92 NPSR1 (0.50) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL4158485 0.86 TSHR (0.53) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL14893288 0.82 TSHR (0.64) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL847403 0.82 TSHR (0.64) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL11764870 0.82 NPSR1 (0.54) KDM4ELMNAPREPACE2NPSR1
SCHEMBL11764878 0.82 NPSR1 (0.54) KDM4ELMNAPREPACE2NPSR1
SCHEMBL11764886 0.82 NPSR1 (0.54) KDM4ELMNAPREPACE2NPSR1
SCHEMBL11764245 0.81 NPSR1 (0.53) KDM4ELMNAPREPACE2NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4022792-A ANALGESICS STERLING DRUG INC. (US) 1977-05-10 US disclosed
US-3976653-A ANALGESIC ANTAGONIST STERLING DRUG INC. (US) 1976-08-24 US disclosed