SCHEMBL18595231

SCHEMBL18595231

CCC(C)C(=O)NCCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
EPHX2 P34913 5/20 0.57
PLAAT3 P53816 2/20 0.56
PLAAT5 Q96KN8 2/20 0.56
PLAAT2 Q9NWW9 2/20 0.56
PLAAT4 Q9UL19 2/20 0.56
GLI1 P08151 1/20 0.55
GLI2 P10070 1/20 0.55
LTA4H P09960 4/20 0.54
POLB P06746 1/20 0.53
FFAR1 O14842 1/20 0.50
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
PTPN1 P18031 1/20 0.49
PRSS1 P07477 1/20 0.47
TMPRSS15 P98073 1/20 0.47
SLC2A1 P11166 1/20 0.47
TLR2 O60603 1/20 0.47

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
SCHEMBL14521444 0.87 CYP2D6 (0.61) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL12017299 0.87 POLB (0.68) GAAEPHX2POLB
SCHEMBL10031627 0.87 POLB (0.68) GAAEPHX2POLB
SCHEMBL22080072 0.87 POLB (0.68) GAAEPHX2POLB
SCHEMBL17037444 0.85 EPHX2 (0.59) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8493639 0.80 EPHX2 (0.71) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL14544605 0.80 SMN1; SMN2 (0.69) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL18324609 0.80 GAA (0.68) GAAGLI1GLI2POLB
SCHEMBL30941666 0.79 EPHX2 (0.69) EPHX2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL16552390 0.79 EPHX2 (0.64) GAAEPHX2PLAAT3PLAAT5PLAAT2

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-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed