SCHEMBL7206488

SCHEMBL7206488

CC(C)COC=CC(=O)OCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.35
HCAR2 Q8TDS4 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
RAB9A P51151 1/20 0.30
P2RX4 Q99571 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
SCHEMBL7680695 1.00 TSHR (0.55) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL1882709 0.88 TSHR (0.52) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL1882710 0.88 TSHR (0.52) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL317107 0.84 TSHR (0.67) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL429885 0.84 TSHR (0.67) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL317108 0.84 TSHR (0.67) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL1876729 0.83 TSHR (0.55) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL1876728 0.83 TSHR (0.55) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL28757749 0.82 TSHR (0.64) TSHRALDH1A1HPGDMAPTHCAR2
SCHEMBL1878842 0.82 ATM (0.52) TSHRALDH1A1HPGDMAPTHCAR2

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
WO-2024095957-A1 ESTER COMPOUND-CONTAINING COMPOSITION, METHOD FOR PRODUCING SAME, POLYMERIZABLE COMPOSITION, (METH)ACRYLIC POLYMER, AND METHOD FOR PRODUCING SAME 三菱ケミカル株式会社 2024-05-10 WO disclosed
EP-1131299-B1 METHOD FOR PRODUCING 1-SUBSTITUTED 5- OR 3-HYDROXYPYRAZOLES BASF AG (DE) 2003-09-17 EP disclosed
US-6392058-B1 REACTING AN ALKYL VINYL ETHER WITH PHOSGENE; FORMING ACYL CHLORIDE; ESTERIFICATION; REACTING WITH HYDRAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-05-21 US disclosed
EP-1131299-A2 METHOD FOR PRODUCING 1-SUBSTITUTED 5- OR 3-HYDROXYPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2001-09-12 EP disclosed
WO-2000031042-A2 METHOD FOR PRODUCING 1-SUBSTITUTED 5- OR 3-HYDROXYPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2000-06-02 WO disclosed