SCHEMBL6545257

SCHEMBL6545257

C=C(C)C(=O)OC(O)(CC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
ELANE P08246 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KIF11 P52732 3/20 0.37
KCNN4 O15554 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM4 P08173 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34

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
SCHEMBL10632044 0.82 CYP2C19 (0.41) CYP2C19ELANEHIF1AALDH1A1MAPT
SCHEMBL6850505 0.82 CYP2C19 (0.41) CYP2C19ELANEHIF1AALDH1A1MAPT
SCHEMBL13347381 0.81 CYP2C19 (0.43) CYP2C19ELANEHIF1AALDH1A1MAPT
SCHEMBL10596426 0.80 ALDH1A1 (0.36) ELANEALDH1A1MAPTLMNAHTT
SCHEMBL1325115 0.80 TSHR (0.45) ELANEALDH1A1MAPTHTTL3MBTL1
SCHEMBL8988148 0.80 ELANE (0.44) CYP2C19ELANEHIF1AALDH1A1MAPT
SCHEMBL11876274 0.78 CYP2C19 (0.43) CYP2C19ELANEHIF1AALDH1A1MAPT
SCHEMBL3180129 0.78 CYP2C19 (0.46) CYP2C19ELANEHIF1AALDH1A1MAPT
SCHEMBL435821 0.78 ELANE (0.45) CYP2C19ELANEHIF1AALDH1A1MAPT
SCHEMBL1047064 0.77 THRB (0.41) CYP2C19HIF1AALDH1A1KIF11KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103597635-A Gap-filling swelling tape LG CHEMICAL LTD 2014-02-19 CN disclosed
CN-103339781-A Electrode assembly LG CHEMICAL LTD 2013-10-02 CN disclosed
EP-1377325-A1 COMPOSITE FOR ATTACHING, GROWING AND/OR REPAIRING OF LIVING TISSUES AND USE OF SAID COMPOSITE Vivoxid Oy (FI) 2004-01-07 EP disclosed
WO-2003030837-A1 A DENTAL OR MEDICAL DEVICE STICK TECH OY (FI) 2003-04-17 WO disclosed
WO-2002074356-A1 COMPOSITE FOR ATTACHING, GROWING AND/OR REPAIRING OF LIVING TISSUES AND USE OF SAID COMPOSITE VIVOXID OY (FI) 2002-09-26 WO disclosed