SCHEMBL5364490

SCHEMBL5364490

CC(=O)c1ccc(C)c(C(C)=O)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
IKBKB O14920 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
P2RX7 Q99572 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
DHODH Q02127 1/20 0.32
PTGS2 P35354 3/20 0.32
KCNJ1 P48048 2/20 0.32

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
SCHEMBL6110055 0.80 KMT2A (0.39) ALDH1A1IKBKBSMN1; SMN2CYP1A2KDM4E
SCHEMBL3580429 0.80 NOS3 (0.43) ALDH1A1SMN1; SMN2CYP1A2KDM4EMAPT
SCHEMBL24027298 0.78 SMN1; SMN2 (0.40) ALDH1A1IKBKBSMN1; SMN2CYP1A2KDM4E
SCHEMBL1858070 0.77 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL20312711 0.77 IKBKB (0.35) ALDH1A1IKBKBSMN1; SMN2CYP1A2RAB9A
SCHEMBL21599035 0.77 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL1256532 0.77 GRM5 (0.39) ALDH1A1IKBKBCYP1A2KDM4EP2RX7
SCHEMBL20209504 0.77 ALDH1A1 (0.38) ALDH1A1IKBKBSMN1; SMN2MAPTRAB9A
SCHEMBL19857471 0.74 KDM4E (0.48) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL18013563 0.74 KDM4E (0.49) ALDH1A1CYP1A2KDM4EMAPTL3MBTL1

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
US-7300901-B2 Hollow beads of polyethylene TOTAL PETROCHEMICALS RESEARCH FELUY (BG) 2007-11-27 US disclosed
US-20070054799-A1 Hollow beads of polyethylene LAVASTRE OLIVIER 2007-03-08 US disclosed