SCHEMBL28840682

SCHEMBL28840682

CC(C)(C)C(=O)OC1=Cc2ccccc2CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
PTGS2 P35354 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM1A O60341 1/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL9798491 0.83 MEN1 (0.39) ELANEMEN1KMT2ALMNAMAPT
SCHEMBL30661164 0.83 MEN1 (0.39) ELANEMEN1KMT2ALMNAMAPT
SCHEMBL13211923 0.78 ELANE (0.41) ELANEMEN1KMT2AGPR84PTGS2
SCHEMBL12831509 0.76 GPR84 (0.35) GPR84PTGS2MAOAMAOBKDM1A
SCHEMBL29082480 0.75 ALOX5 (0.48) ELANEMEN1KMT2AMAPTNPSR1
SCHEMBL11025756 0.74 KDM1A (0.46) GPR84PTGS2MAOBKDM1A
SCHEMBL31274601 0.74 ELANE (0.41) ELANEMEN1KMT2A
SCHEMBL8569166 0.73 PTGS2 (0.49) GPR84PTGS2MAOBKDM1A
SCHEMBL30661162 0.73 PTGS2 (0.49) GPR84PTGS2MAOBKDM1A
SCHEMBL9797964 0.73 CYP11B1 (0.39) GPR84PTGS2MAOBKDM1A

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
CN-114907404-B 5- (2- (Disubstituted phosphino) phenyl) -1-alkyl-1H-pyrazolyl phosphine ligand and preparation method and application thereof 香港理工大学深圳研究院 2024-05-14 CN disclosed
CN-114907404-A 5- (2- (disubstituted phosphino) phenyl) -1-alkyl-1H-pyrazolylphosphine ligand and preparation method and application thereof 香港理工大学深圳研究院 2022-08-16 CN disclosed