SCHEMBL819739

SCHEMBL819739

C=C(CCCOc1cccc(C)c1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
HPGD P15428 2/20 0.59
MAPK1 P28482 2/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 1/20 0.54
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL826321 0.84 SMN1; SMN2 (0.65) SMN1; SMN2HPGDMAPK1LMNAL3MBTL1
SCHEMBL15255 0.82 KCNA3 (0.54) SMN1; SMN2HPGDMAPK1L3MBTL1KDM4E
SCHEMBL820563 0.82 FFAR4 (0.59)
SCHEMBL13523837 0.81 SMN1; SMN2 (0.65) SMN1; SMN2HPGDMAPK1LMNAL3MBTL1
SCHEMBL6850974 0.81 SMN1; SMN2 (0.65) SMN1; SMN2HPGDMAPK1LMNAL3MBTL1
SCHEMBL3478184 0.81 L3MBTL1 (0.62) HPGDL3MBTL1KMT2AMEN1NPC1
SCHEMBL8278944 0.80 KMT2A (0.60) SMN1; SMN2HPGDMAPK1LMNAL3MBTL1
SCHEMBL11550936 0.80 SMN1; SMN2 (0.63) SMN1; SMN2HPGDMAPK1LMNAL3MBTL1
SCHEMBL378569 0.80 ADRB2 (0.52) SMN1; SMN2HPGDL3MBTL1GAAKMT2A
SCHEMBL2777259 0.80 L3MBTL1 (0.64) SMN1; SMN2HPGDMAPK1LMNAL3MBTL1

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
US-20120010361-A1 CURABLE COMPOSITION AND CURED PRODUCT THEREOF SHOWA DENKO K.K. (JP) 2012-01-12 US disclosed