SCHEMBL19456993

SCHEMBL19456993

CC(C)CCC(=O)Nc1ncco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.46
CIT O14578 1/20 0.43
EPHX2 P34913 3/20 0.40
AAK1 Q2M2I8 3/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
DEGS1 O15121 1/20 0.38
NAMPT P43490 1/20 0.37
TRPA1 O75762 1/20 0.36
P2RX7 Q99572 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36

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
SCHEMBL18976556 0.79 EPHX2 (0.42) FFAR2EPHX2CSNK2A2CSNK2BCSNK2A1
SCHEMBL18964090 0.78 KDM4E (0.46) FFAR2EPHX2CSNK2A2CSNK2BCSNK2A1
SCHEMBL7091214 0.78 LMNA (0.50) EPHX2DEGS1HDAC3HDAC4HDAC1
SCHEMBL25319854 0.76 EPHX2 (0.43) FFAR2EPHX2CSNK2A2CSNK2BCSNK2A1
SCHEMBL19111007 0.76 NTRK1 (0.39) CITTRPA1P2RX7HDAC3HDAC4
SCHEMBL1428278 0.75 EPHX2 (0.44) FFAR2EPHX2CSNK2A2CSNK2BCSNK2A1
SCHEMBL13024156 0.75 FFAR2 (0.58) FFAR2EPHX2CSNK2A2CSNK2BCSNK2A1
SCHEMBL25332354 0.75 FFAR2 (0.44) FFAR2EPHX2CSNK2A2CSNK2BCSNK2A1
SCHEMBL18969633 0.74 FFAR2 (0.42) FFAR2EPHX2CSNK2A2CSNK2BCSNK2A1
SCHEMBL19111000 0.73 LMNA (0.58) FFAR2CITDEGS1NAMPTP2RX7

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
WO-2017176040-A1 HETEROCYCLIC COMPOUND DECOMPOSING RAS AND USES THEREOF 연세대학교 산학협력단 2017-10-12 WO disclosed