SCHEMBL28685679

SCHEMBL28685679

CC(C)COC(=O)Oc1cccc2c1ccc1c3ccccc3ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 2/20 0.44
PGR P06401 1/20 0.44
GAA P10253 1/20 0.44
PTGS1 P23219 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
NCEH1 Q6PIU2 2/20 0.42
TSHR P16473 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
NR2E1 Q9Y466 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP2D6 P10635 4/20 0.39
ADRB2 P07550 4/20 0.39
ADRB1 P08588 4/20 0.39
CYP1A2 P05177 3/20 0.39

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
SCHEMBL28702860 0.85 TYMS (0.49) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL28684572 0.83 HSD17B10 (0.55) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL18817858 0.82 HSD17B10 (0.53) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL28683223 0.82 CNR1 (0.47) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL10344381 0.82 NCEH1 (0.43) ALDH1A1NCEH1TSHRRAB9ASMN1; SMN2
SCHEMBL28485626 0.82 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL28685001 0.82 L3MBTL1 (0.48) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL28699574 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL28694838 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL28371309 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10MAPK1PGRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109471330-B Photosensitive composition and photopolymerization initiator used therein 东京应化工业株式会社 2023-08-29 CN disclosed
CN-106970503-B Photosensitive composition 东京应化工业株式会社 2022-02-01 CN disclosed