SCHEMBL7094370

SCHEMBL7094370

CCCCCCCC[C@](CC(=O)O)(C(=O)O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
FFAR1 O14842 2/20 0.48
CPT2 P23786 1/20 0.48
HSPD1 P10809 1/20 0.42
BLM P54132 1/20 0.42
HSPE1 P61604 1/20 0.42
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL6860010 0.92 TDP1 (0.42) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL17954033 0.84 GPR84 (0.61) TDP1FFAR1BLMGPR84PPARG
SCHEMBL26101912 0.82 CES2 (0.48) TDP1FFAR1GPR84PPARGPPARD
SCHEMBL337305 0.82 CES2 (0.48) TDP1FFAR1GPR84PPARGPPARD
SCHEMBL9955211 0.80 HSPD1 (0.45) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL8042094 0.80 HSPD1 (0.45) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL9953975 0.80 HSPD1 (0.45) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL1420435 0.80 HSPD1 (0.45) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL10590136 0.80 HSPD1 (0.45) TDP1FFAR1CPT2HSPD1BLM
SCHEMBL9954011 0.80 HSPD1 (0.45) TDP1FFAR1CPT2HSPD1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815084-B1 LACTAM-CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEASE PROCTER & GAMBLE (US) 2003-08-27 EP disclosed
EP-0815084-A1 LACTAM-CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEASE THE PROCTER & GAMBLE COMPANY (US) 1998-01-07 EP disclosed
US-5672598-A MATRIX METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed
WO-1996029313-A1 LACTAM-CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEASE THE PROCTER & GAMBLE COMPANY (US) 1996-09-26 WO disclosed