SCHEMBL30628343

SCHEMBL30628343

CCOC(=O)C(F)(F)c1cc(F)ccc1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
MRGPRX1 Q96LB2 3/20 0.39
TSHR P16473 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RBP4 P02753 1/20 0.38
HTT P42858 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
SCHEMBL17420737 1.00 FBP1 (0.44) FBP1RXRARXRBRXRGMRGPRX4
SCHEMBL30628225 0.89 FBP1 (0.40) FBP1RXRARXRBRXRGMRGPRX4
SCHEMBL30628247 0.89 FBP1 (0.41) FBP1RXRARXRBRXRGMAPT
SCHEMBL17420701 0.89 FBP1 (0.41) FBP1RXRARXRBRXRGMAPT
SCHEMBL17420493 0.85 RXRA (0.48) RXRARXRBRXRGMRGPRX4CYP1A2
SCHEMBL30628318 0.85 RXRA (0.48) RXRARXRBRXRGMRGPRX4CYP1A2
SCHEMBL31306436 0.84 MAPT (0.43) FBP1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL17420513 0.82 ALDH1A1 (0.45) FBP1MRGPRX4MAPTCYP1A2CYP2C9
SCHEMBL17420548 0.81 MAPT (0.43) FBP1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30628314 0.81 MAPT (0.45) FBP1MAPTCYP1A2CYP2C9CYP2C19

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-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 CN disclosed