SCHEMBL28449377

SCHEMBL28449377

COC(=O)C(C)c1ccc(C(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
MT-CO2 P00403 1/20 0.46
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
KMT2A Q03164 1/20 0.42
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2400520 0.85 HPGD (0.48) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL14864467 0.84 HPGD (0.50) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL17086711 0.84 HPGD (0.50) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL2170797 0.84 HPGD (0.50) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL12896284 0.83 HPGD (0.53) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL11130803 0.83 HPGD (0.53) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL17073087 0.82 HPGD (0.46) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL11014337 0.82 ALOX15 (0.49) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL1747458 0.82 ESR1 (0.56) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL12424105 0.82 HPGD (0.51) HPGDMT-CO2PTGS2PTGS1KMT2A

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
CN-111574322-A Preparation method of difluoromethyl aromatic compound 南京工业大学 2020-08-25 CN disclosed