SCHEMBL9726150

SCHEMBL9726150

C=C(Cl)CN(CC(=O)O)C(=O)CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TSHR P16473 5/20 0.37
AKR1B1 P15121 1/20 0.34
GPR84 Q9NQS5 7/20 0.33
PPARG P37231 7/20 0.33
PPARD Q03181 7/20 0.33
PPARA Q07869 7/20 0.33
HDAC11 Q96DB2 5/20 0.33
PTPN1 P18031 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL265251 0.86 FFAR3 (0.50) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL24331732 0.79 FFAR3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL6138052 0.78 LMNA (0.50) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL7332844 0.76 TDP1 (0.32) TSHRTDP1ALOX15HSD17B10LMNA
SCHEMBL28613948 0.73 MMP1 (0.47) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL10950026 0.72 AKR1B1 (0.56) TSHRAKR1B1GPR84PPARGPPARD
SCHEMBL14435161 0.71 GPR84 (0.58) TSHRAKR1B1GPR84PPARGPPARD
SCHEMBL1115961 0.71 GPR84 (0.58) TSHRAKR1B1GPR84PPARGPPARD
SCHEMBL11715824 0.70 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
Ammonia Solution, Strong SCHEMBL11417642 0.69 GPR84 (0.56) TSHRAKR1B1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5122514-A Administering renin inhibitor ABBOTT LABORATORIES (US) 1992-06-16 US disclosed