SCHEMBL27654052

SCHEMBL27654052

C=CC([O])=O.O=c1c2ccccc2sc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
GPR3 P46089 1/20 0.46
MAPT P10636 7/20 0.46
ALDH1A1 P00352 6/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 3/20 0.44
HCRTR1 O43613 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
Acrylic Acid SCHEMBL28027777 0.89 KDM4E (0.50) KDM4EGPR3MAPTALDH1A1NPC1
Bicarbonate SCHEMBL9168209 0.86 KDM4E (0.58) KDM4EGPR3MAPTALDH1A1NPC1
Bicarbonate SCHEMBL9809601 0.86 KDM4E (0.58) KDM4EGPR3MAPTALDH1A1NPC1
Bicarbonate SCHEMBL8096275 0.86 KDM4E (0.58) KDM4EGPR3MAPTALDH1A1NPC1
Ethylene SCHEMBL9721424 0.84 GPR3 (0.65) KDM4EGPR3MAPTALDH1A1NPC1
SCHEMBL36332 0.82 GPR3 (0.68) KDM4EGPR3MAPTALDH1A1NPC1
SCHEMBL9160474 0.82 GPR3 (0.68) KDM4EGPR3MAPTALDH1A1NPC1
SCHEMBL29374932 0.82 GPR3 (0.68) KDM4EGPR3MAPTALDH1A1NPC1
SCHEMBL30515127 0.82 GPR3 (0.68) KDM4EGPR3MAPTALDH1A1NPC1
SCHEMBL10476774 0.82 GPR3 (0.68) KDM4EGPR3MAPTALDH1A1NPC1

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
CN-1829818-A Process for the production of strongly adherent coatings CIBA SC HOLDING AG (CH) 2006-09-06 CN disclosed