SCHEMBL23536625

SCHEMBL23536625

CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
LPL P06858 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
P4HB P07237 1/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
RIPK1 Q13546 2/20 0.33
ROCK1 Q13464 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
SCHEMBL2377873 0.83 CXCR2 (0.37) CXCR2ALDH1A1NPC1RAB9ALIPG
SCHEMBL23526428 0.83 USP30 (0.40) CXCR2RIPK1
SCHEMBL29799702 0.82 PTGDR2 (0.40) CXCR2ALDH1A1HPGDKMT2AMEN1
SCHEMBL27186377 0.82 PTGDR2 (0.40) CXCR2ALDH1A1HPGDKMT2AMEN1
SCHEMBL23526249 0.82 LPL (0.40) CXCR2KDM4EALDH1A1LIPGLPL
SCHEMBL4158920 0.79 AKR1B1 (0.46) CXCR2KDM4ELIPGLPLP4HB
SCHEMBL23526395 0.79 ALDH1A1 (0.38) CXCR2KDM4EALDH1A1NPC1RAB9A
SCHEMBL25842706 0.78 LPL (0.37) CXCR2LIPGLPLROCK1
SCHEMBL534958 0.78 NPSR1 (0.39) CXCR2LIPGLPLKMT2AMEN1
SCHEMBL902458 0.77 LIPG (0.49) CXCR2ALDH1A1LIPGLPLP4HB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076418-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127429-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2021-06-24 WO disclosed