SCHEMBL7040568

SCHEMBL7040568

CCOC(=O)C(C)(C)c1cccc(C2OCCO2)c1C(O)CC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
PIN1 Q13526 1/20 0.30
POLB P06746 1/20 0.30
MMP8 P22894 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
SCHEMBL7154295 0.80 GAA (0.33) CNR2KDM4EALDH1A1GAATDP1
SCHEMBL7040767 0.76 CNR2 (0.39) CNR2MAPK1MAPT
SCHEMBL29905078 0.73 KDM4E (0.39) KDM4EALDH1A1GAATDP1MAPK1
SCHEMBL7040690 0.72 PIN1 (0.33) CNR2KDM4EALDH1A1GAATDP1
SCHEMBL8484338 0.70 PIN1 (0.34) KDM4EALDH1A1GAATDP1MAPK1
SCHEMBL20826480 0.69 CNR2 (0.41) CNR2ALDH1A1PIN1
SCHEMBL7154293 0.67 TSHR (0.37) KDM4EALDH1A1GAATDP1MAPK1
SCHEMBL20791050 0.65 ALDH1A1 (0.37) CNR2ALDH1A1KMT2AMAPTPIN1
SCHEMBL7040571 0.64 LMNA (0.39) CNR2ALDH1A1GAAKMT2ANPSR1
SCHEMBL17981630 0.64 CA12 (0.46) KDM4EALDH1A1GAATDP1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0956286-B1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR INC (US) 2003-04-02 EP disclosed
US-6147217-A Synthesis of terfenadine and derivatives SEPRACOR INC. (US) 2000-11-14 US disclosed
EP-0956286-A1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR, INC. (US) 1999-11-17 EP disclosed
WO-1998033789-A1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR, INC. (US) 1998-08-06 WO disclosed