SCHEMBL27615461

SCHEMBL27615461

CCCC(=O)Oc1cccc2ccccc12.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HSD17B10 Q99714 3/20 0.57
PGR P06401 1/20 0.57
GAA P10253 1/20 0.57
PTGS1 P23219 1/20 0.57
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 4/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RECQL P46063 1/20 0.49
PIN1 Q13526 1/20 0.46

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
SCHEMBL447135 0.98 ALDH1A1 (0.58) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL29373398 0.98 ALDH1A1 (0.58) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL27634502 0.97 ALDH1A1 (0.57) ALDH1A1HSD17B10PGRGAAPTGS1
Acetic Acid SCHEMBL8010751 0.94 ALDH1A1 (0.54) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL7749745 0.90 MEN1 (0.61) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL11370297 0.90 ALDH1A1 (0.59) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL7086844 0.89 MEN1 (0.56) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL11817815 0.89 L3MBTL1 (0.49) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL28694778 0.89 L3MBTL1 (0.49) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL27615450 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10PGRGAAPTGS1

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-1706251-A Composition for treating plant viral diseases and its use WEI HONGRU (CN) 2005-12-14 CN claimed
CN-1706251-A Composition for treating plant viral diseases and its use WEI HONGRU (CN) 2005-12-14 CN disclosed