SCHEMBL9799560

SCHEMBL9799560

CC(C)CC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
L3MBTL1 Q9Y468 6/20 0.59
MAPT P10636 4/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 3/20 0.59
HPGD P15428 2/20 0.59
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.56
NPC1 O15118 2/20 0.56
TDP1 Q9NUW8 3/20 0.56
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
CES1 P23141 1/20 0.56
NPSR1 Q6W5P4 2/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
GSK3B P49841 2/20 0.52

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
SCHEMBL2026026 1.00 TSHR (0.63) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL28195232 0.94 TSHR (0.57) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
Trimethylammonium SCHEMBL27818073 0.94 TSHR (0.57) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
Acetaldehyde SCHEMBL27808720 0.92 TSHR (0.55) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL27832807 0.89 TSHR (0.52) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL2739301 0.88 MAPT (0.63) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
Acetophenone SCHEMBL27412815 0.86 KMT2A (0.49) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL11900206 0.84 TDP1 (0.53) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL2026600 0.84 TSHR (0.61) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL2949251 0.84 TSHR (0.61) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041663-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-5032169-A Antidotes for herbicides CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4759789-A Treating locus of plant before or during application of herbicide with oxime ether compound CIBA-GEIGY CORPORATION (US) 1988-07-26 US disclosed
US-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US disclosed
EP-0094348-B1 OXIME ETHERS, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THE OXIME ETHERS AND THEIR USE CIBA-GEIGY AG (CH) 1985-07-24 EP disclosed
EP-0094348-A1 Oxime ethers, process for their preparation, agents containing the oxime ethers and their use CIBA-GEIGY AG (CH) 1983-11-16 EP disclosed