SCHEMBL10396334

SCHEMBL10396334

COC(=O)c1c[nH]c2ccc(C(=O)c3ccccc3)cc12

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 11/20 0.67
CREBBP Q92793 1/20 0.62
GPR84 Q9NQS5 1/20 0.53
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 1/20 0.48
AXL P30530 2/20 0.48
MAP2K1 Q02750 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL10396923 0.89 NR4A2 (0.62) NR4A2CREBBPTP53SMN1; SMN2NPSR1
SCHEMBL4907150 0.89 GPR84 (0.63) NR4A2CREBBPGPR84TP53SMN1; SMN2
SCHEMBL4485057 0.86 NR4A2 (0.68) NR4A2CREBBPGPR84TP53NPSR1
SCHEMBL27365216 0.86 NR4A2 (0.72) NR4A2CREBBPGPR84TP53RAB9A
SCHEMBL10397437 0.83 NR4A2 (0.68) NR4A2CREBBPGPR84TP53NPSR1
SCHEMBL2810907 0.82 GPR84 (0.60) NR4A2CREBBPGPR84TP53SMN1; SMN2
SCHEMBL25405774 0.81 NR4A2 (1.00) NR4A2CREBBPGPR84AXLMAP2K1
SCHEMBL31083673 0.81 NR4A2 (1.00) NR4A2CREBBPGPR84AXLMAP2K1
SCHEMBL4907106 0.80 GPR84 (0.58) NR4A2CREBBPGPR84TP53SMN1; SMN2
SCHEMBL4907100 0.79 KDM4E (0.54) NR4A2GPR84TP53SMN1; SMN2NPSR1

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-4950809-A REACTING ARYL KETONE OR ALDEHYDE WITH PERACETIC ACID RHONE-POULENC CHIMIE (FR) 1990-08-21 US disclosed