SCHEMBL9560892

SCHEMBL9560892

CCC(=O)Oc1cccc2c1ccc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 3/20 0.52
HSD17B10 Q99714 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PGR P06401 1/20 0.50
GAA P10253 1/20 0.50
PTGS1 P23219 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPRT1 P00492 1/20 0.44
NCEH1 Q6PIU2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL28932266 1.00 ALDH1A1 (0.52) ALDH1A1KMT2AHSD17B10L3MBTL1PGR
SCHEMBL29609999 0.90 ALDH1A1 (0.60) ALDH1A1KMT2AHSD17B10L3MBTL1PGR
SCHEMBL448000 0.90 ALDH1A1 (0.60) ALDH1A1KMT2AHSD17B10L3MBTL1PGR
SCHEMBL11817815 0.89 L3MBTL1 (0.49) ALDH1A1KMT2AHSD17B10L3MBTL1PGR
SCHEMBL28694778 0.89 L3MBTL1 (0.49) ALDH1A1KMT2AHSD17B10L3MBTL1PGR
Ammonia Solution, Strong SCHEMBL28004586 0.89 ALDH1A1 (0.58) ALDH1A1KMT2AHSD17B10L3MBTL1PGR
SCHEMBL27349158 0.89 ALDH1A1 (0.58) ALDH1A1KMT2AHSD17B10L3MBTL1PGR
SCHEMBL31053167 0.89 ALDH1A1 (0.58) ALDH1A1KMT2AHSD17B10L3MBTL1PGR
SCHEMBL27615450 0.89 ALDH1A1 (0.58) ALDH1A1KMT2AHSD17B10L3MBTL1PGR
SCHEMBL27890997 0.89 ALDH1A1 (0.58) ALDH1A1KMT2AHSD17B10L3MBTL1PGR

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
JP-5021165-A None JP disclosed
JP-H0521165-A ELECTRIC FIELD LIGHT EMITTING ELEMENT RICOH CO LTD 1993-01-29 JP disclosed