SCHEMBL27365216

SCHEMBL27365216

COC(=O)c1ccc2[nH]cc(C(=O)OC)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.72
CREBBP Q92793 1/20 0.64
GPR84 Q9NQS5 1/20 0.60
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TP53 P04637 1/20 0.52
ATM Q13315 2/20 0.51
RAB9A P51151 2/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL3931730 0.91 NR4A2 (0.60) NR4A2CREBBPGPR84ALDH1A1HPGD
SCHEMBL4485057 0.91 NR4A2 (0.68) NR4A2CREBBPGPR84ALDH1A1HPGD
SCHEMBL10397437 0.91 NR4A2 (0.68) NR4A2CREBBPGPR84ALDH1A1HPGD
SCHEMBL3734053 0.89 NR4A2 (0.58) NR4A2CREBBPGPR84ALDH1A1HPGD
SCHEMBL2810907 0.89 GPR84 (0.60) NR4A2CREBBPGPR84ALDH1A1HPGD
SCHEMBL27853728 0.89 NR4A2 (0.58) NR4A2CREBBPGPR84ALDH1A1HPGD
SCHEMBL28371975 0.89 NR4A2 (0.62) NR4A2CREBBPGPR84ALDH1A1HPGD
SCHEMBL6418495 0.87 NR4A2 (0.72) NR4A2CREBBPGPR84ALDH1A1HPGD
SCHEMBL31026078 0.87 NR4A2 (0.58) NR4A2CREBBPGPR84ALDH1A1HPGD
SCHEMBL28984928 0.87 NR4A2 (0.58) NR4A2CREBBPGPR84ALDH1A1HPGD

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-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed