SCHEMBL7854576

SCHEMBL7854576

CCc1ccccc1OC(=O)C(CC)(CC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
ELANE P08246 5/20 0.39
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GLA P06280 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
SCHEMBL10958629 0.86 ELANE (0.50) L3MBTL1ELANEKDM4ETSHRTHRA
SCHEMBL5608091 0.81 TDP1 (0.52) NPSR1MAPTELANEKDM4EMEN1
SCHEMBL28008661 0.80 ELANE (0.45) L3MBTL1NPSR1MAPTELANEKDM4E
SCHEMBL453104 0.80 ELANE (0.46) L3MBTL1MAPTELANEHSD17B10
SCHEMBL15867625 0.80 ELANE (0.61) L3MBTL1NPSR1MAPTELANEGABRA1
SCHEMBL7182176 0.78 L3MBTL1 (0.43) L3MBTL1NPSR1MAPTELANETSHR
SCHEMBL47951 0.77 L3MBTL1 (0.48) L3MBTL1NPSR1MAPTKDM4ETSHR
Benzene SCHEMBL28173619 0.75 PTGS2 (0.58) L3MBTL1NPSR1MAPTELANEKDM4E
SCHEMBL7064536 0.75 L3MBTL1 (0.50) L3MBTL1NPSR1MAPTKDM4ETSHR
SCHEMBL29587376 0.75 L3MBTL1 (0.50) L3MBTL1NPSR1MAPTKDM4ETSHR

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-6288046-B1 ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE/N-/ INHIBITORS; CARBOXYALKYLPHOSPHATES; PROSTATE DISORDERS; GLUTAMATE ABNORMALITIES; NERVOUS SYSTEM DISORDERS GUILFORD PHARMACEUTICALS INC. 2001-09-11 US disclosed
WO-1998047906-A1 PHOSPHONIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1998-10-29 WO disclosed