SCHEMBL7418992

SCHEMBL7418992

CC(CCCCc1ccccc1)(Cc1ccccc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.47
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GRM2 Q14416 1/20 0.45
GRM3 Q14832 1/20 0.45
MAOB P27338 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL7713325 0.89 POLB (0.44) POLBLMNAMAPTRXFP1GRM2
SCHEMBL28487224 0.89 SMN1; SMN2 (0.46) MMP8POLBLMNAMAPTGRM2
SCHEMBL27478411 0.83 LTB4R (0.53) POLBLMNAMAPTRXFP1GRM2
SCHEMBL27829250 0.83 SLC6A2 (0.54) MMP8LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL9206911 0.79 MMP8 (0.45) MMP8LMNAMAPTRXFP1GRM2
SCHEMBL28208793 0.78 LMNA (0.51) POLBLMNAMAPTRXFP1GRM2
SCHEMBL29290738 0.78 SMN1; SMN2 (0.48) MMP8LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL28206356 0.78 LTB4R (0.48) MMP8POLBLMNAMAPTRXFP1
SCHEMBL7159154 0.78 MAPT (0.51) POLBMAPTRXFP1GRM2GRM3
SCHEMBL5607442 0.77 HIF1A (0.47) MMP8LMNAMAPTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5733882-A Retroviral protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1998-03-31 US disclosed
EP-0602069-A4 RETROVIRAL PROTEASE INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-05-03 EP disclosed
EP-0602069-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-06-22 EP disclosed