SCHEMBL8600994

SCHEMBL8600994

COC(=O)C(O)(CCC(C)C)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
SLC13A5 Q86YT5 6/20 0.32
MAPT P10636 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
SLC13A2 Q13183 1/20 0.31
SLC13A3 Q8WWT9 1/20 0.31

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
SCHEMBL16254847 0.86 L3MBTL1 (0.41) L3MBTL1USP2LMNA
SCHEMBL10029372 0.81 ALDH1A1 (0.56) L3MBTL1ALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL2744420 0.80 ALDH1A1 (0.52) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL28374394 0.78 ALDH1A1 (0.50) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL19810008 0.75 ALDH1A1 (0.39) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL10029375 0.75 MEN1 (0.41) L3MBTL1ALDH1A1SLC13A5MAPTUSP2
SCHEMBL19810009 0.75 ALDH1A1 (0.39) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL15806369 0.75 MEN1 (0.41) L3MBTL1ALDH1A1SLC13A5MAPTUSP2
SCHEMBL23330 0.73 ALDH1A1 (0.44) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL232278 0.72 L3MBTL1 (0.36) L3MBTL1

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
EP-0821669-A1 HYDROXAMIC AND CARBOXYLIC ACIDS AS METALLOPROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP disclosed
US-5691381-A ANTAGONIST OF TUMOR NECROSIS FACTOR, ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENT THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-25 US disclosed
WO-1996033166-A1 HYDROXAMIC AND CARBOXYLIC ACIDS AS METALLOPROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO disclosed