SCHEMBL9625532

SCHEMBL9625532

CCC(=O)CC(=O)C(C)(C)Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
RIPK1 Q13546 2/20 0.44
HPGD P15428 4/20 0.43
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
DPP4 P27487 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 1/20 0.37
PLOD2 O00469 1/20 0.37
VNN1 O95497 1/20 0.36

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
SCHEMBL3832104 0.75 KCNN4 (0.48) KDM4ERIPK1HPGDTDP1POLB
SCHEMBL9626513 0.75 RIPK1 (0.47) KDM4ERIPK1HPGDTDP1POLB
SCHEMBL5394972 0.75 PPARG (0.49) KDM4ERIPK1HPGDTDP1POLB
SCHEMBL9875291 0.75 FAAH (0.54) RIPK1HPGDGAAMEN1KMT2A
SCHEMBL9625078 0.74 RIPK1 (0.41) KDM4ERIPK1HPGDTDP1POLB
SCHEMBL14185300 0.72 KDM4E (0.62) KDM4ERIPK1HPGDTDP1GAA
SCHEMBL5381952 0.72 MMP8 (0.47) KDM4ERIPK1HPGDTDP1POLB
SCHEMBL28195018 0.72 TDP1 (0.56) KDM4EHPGDTDP1POLBAPEX1
SCHEMBL9625307 0.72 VNN1 (0.40) KDM4ERIPK1HPGDTDP1POLB
Oxalic Acid SCHEMBL9625240 0.72 KDM4E (0.39) KDM4ERIPK1HPGDALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1023478-C Novel compounds ASTRA AB (SE) 1994-01-12 CN disclosed
EP-0322391-B1 NEW PHENYLALKYLAMINE DERIVATIVES AKTIEBOLAGET ASTRA (SE) 1992-03-25 EP disclosed
CN-1034710-A New compound ASTRA AB (SE) 1989-08-16 CN disclosed