SCHEMBL27467331

SCHEMBL27467331

CCS(=O)(=O)c1ccc(F)c([Ti])c1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.33
DDR1 Q08345 3/20 0.33
COMT P21964 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CCR2 P41597 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
SCHEMBL28354575 0.80 CCR2 (0.39) CCR2
SCHEMBL776476 0.72 PTGES2 (0.44) PSIP1KMT2ATDP1
SCHEMBL20226656 0.71 GAA (0.39) PSIP1DDR1COMTGAA
SCHEMBL4420399 0.69 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19KMT2ATDP1
SCHEMBL776801 0.68 AKR1B1 (0.44) DDR1ALDH1A1CCR2
SCHEMBL12780474 0.68 PKM (0.45) DDR1
SCHEMBL777982 0.67 PSIP1 (0.48) PSIP1KMT2ATDP1ALDH1A1
SCHEMBL13461866 0.67 KAT6A (0.42) CYP3A4CYP2C9CYP2C19HTTKMT2A
SCHEMBL10984543 0.66 DDR1 (0.34) PSIP1DDR1COMTCYP2C9CYP2C19
SCHEMBL28880162 0.65 GAA (0.42) PSIP1CYP2C9GAAKMT2ATDP1

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-1171122-C Optical polymerism composition 富士胶片株式会社 2004-10-13 CN disclosed
CN-1319784-A Optical polymerism composition FUJI PHOTO FILM CO LTD (JP) 2001-10-31 CN disclosed