SCHEMBL8484338

SCHEMBL8484338

CCOC(=O)C(C)(CC1OCCO1)c1ccccc1C(O)CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.34
CASP1 P29466 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MMP8 P22894 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP7 P55210 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7040690 0.78 PIN1 (0.33) PIN1CASP1MMP8ALDH1A1KDM4E
SCHEMBL7040568 0.70 CNR2 (0.33) PIN1MMP8ALDH1A1MAPTHPGD
SCHEMBL7040767 0.68 CNR2 (0.39) HSD17B10ALOX15MAPTMAPK1
SCHEMBL6055159 0.67 LMNA (0.47) LMNAALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL8760976 0.67 LMNA (0.47) CASP1HSD17B10ALOX15CASP7LMNA
SCHEMBL28587944 0.66 PIN1 (0.42) PIN1MMP8ALDH1A1MAPTCYP1A2
SCHEMBL7154293 0.66 TSHR (0.37) PIN1HSD17B10MMP8ALDH1A1KDM4E
SCHEMBL28565247 0.66 PDE2A (0.49) LMNACYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL28608273 0.64 EPHX2 (0.42) CASP1ALDH1A1KDM4EMAPK1KMT2A
SCHEMBL7040571 0.64 LMNA (0.39) HSD17B10ALOX15LMNAALDH1A1MAPT

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
US-5925761-A Synthesis of terfenadine and derivatives SEPRACOR INC. (US) 1999-07-20 US disclosed