SCHEMBL4594548

SCHEMBL4594548

CC(C)(C)c1ncc(CO)cn1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL28232887 0.82 RXRA (0.36)
SCHEMBL13438360 0.79 PPARA (0.37) EPHX2
SCHEMBL830964 0.78 KDM4E (0.34)
SCHEMBL26177203 0.76 LOXL2 (0.33)
SCHEMBL22522697 0.76 IDO1 (0.32)
SCHEMBL4595440 0.76
SCHEMBL26988165 0.76
SCHEMBL4762481 0.76 ESR1 (0.38)
SCHEMBL485770 0.76 VNN1 (0.33) RECQL
SCHEMBL31292405 0.76 PPARG (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
CN-100412064-C Malononitrile compounds and its use SUMITOMO CHEMICAL CO (JP) 2008-08-20 CN disclosed
EP-1555259-B1 Malononitrile compounds as pesticides SUMITOMO CHEMICAL CO (JP) 2008-01-02 EP disclosed
CN-1648122-A Malononitrile compounds and its use SUMITOMO CHEMICAL CO (JP) 2005-08-03 CN disclosed
EP-1555259-A1 Malononitrile compounds as pesticides Sumitomo Chemical Company, Limited (JP) 2005-07-20 EP disclosed
WO-1997038995-A1 FUNGICIDAL OXAZOLIDINEDIONE DERIVATIVES ZENECA LIMITED (GB) 1997-10-23 WO disclosed