SCHEMBL29525161

SCHEMBL29525161

COC(=O)Oc1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.67
ALDH1A1 P00352 4/20 0.67
PGR P06401 1/20 0.67
GAA P10253 1/20 0.67
PTGS1 P23219 1/20 0.67
MAPK1 P28482 1/20 0.67
KDM4E B2RXH2 4/20 0.56
HPGD P15428 3/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 1/20 0.56
RAB9A P51151 1/20 0.56
BCHE P06276 1/20 0.51
SLC6A3 Q01959 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
FABP7 O15540 4/20 0.49
FABP3 P05413 4/20 0.49
FABP5 Q01469 4/20 0.49
MMP2 P08253 1/20 0.49
OGG1 O15527 1/20 0.49

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
SCHEMBL1598809 1.00 HSD17B10 (0.67) HSD17B10ALDH1A1PGRGAAPTGS1
SCHEMBL28684572 0.90 HSD17B10 (0.55) HSD17B10ALDH1A1PGRGAAPTGS1
SCHEMBL37865 0.88 ALDH1A1 (0.65) HSD17B10ALDH1A1PGRGAAPTGS1
SCHEMBL29901836 0.88 ALDH1A1 (0.65) HSD17B10ALDH1A1PGRGAAPTGS1
SCHEMBL10954512 0.85 KMT2A (0.64) HSD17B10ALDH1A1PGRGAAPTGS1
SCHEMBL28379570 0.84 ALDH1A1 (0.57) HSD17B10ALDH1A1PGRGAAPTGS1
SCHEMBL6509391 0.84 KDM4E (0.51) HSD17B10ALDH1A1PGRGAAPTGS1
SCHEMBL7803575 0.84 HSD17B10 (0.58) HSD17B10ALDH1A1PGRGAAPTGS1
SCHEMBL30003241 0.84 HSD17B10 (0.58) HSD17B10ALDH1A1PGRGAAPTGS1
SCHEMBL7212846 0.84 HSD17B10 (0.56) HSD17B10ALDH1A1PGRGAAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2540697-B1 METHOD FOR PRODUCING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2022-04-20 EP disclosed