SCHEMBL9546037

SCHEMBL9546037

C=C(CC(F)(F)F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9578307 1.00 TSHR (0.42) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL9545989 0.94 TSHR (0.35) TSHRUSP2MAPTCYP1A2CYP2C19
SCHEMBL9578353 0.85 TSHR (0.42) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL16174485 0.84 USP2 (0.41) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL5889492 0.83 TSHR (0.45) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL24380770 0.82 TSHR (0.44) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL285648 0.82 TSHR (0.44) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL712581 0.82 TSHR (0.44) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL2031372 0.82 TSHR (0.44) TSHRUSP2MAPTCYP1A2CYP2C9
SCHEMBL10887440 0.82 TSHR (0.44) TSHRUSP2MAPTCYP1A2CYP2C9

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
WO-1993023773-A1 PROCESS FOR PREPARATION OF OXYGEN PERMEABLE POLYMER MATERIAL CIBA-GEIGY AG (CH) 1993-11-25 WO disclosed