SCHEMBL14511751

SCHEMBL14511751

CC(C)(C)[Si](C)(C)Oc1cc(B(O)O)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.47
ENPP2 Q13822 2/20 0.41
C5AR1 P21730 1/20 0.40
CCR5 P51681 1/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
PTGER1 P34995 1/20 0.38
FOLH1 Q04609 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6451525 0.95 LIPE (0.47) LIPEENPP2C5AR1CCR5LMNA
SCHEMBL12639825 0.83 DRD2 (0.37) ENPP2LMNARAB9ASMN1; SMN2NPC1
SCHEMBL16320521 0.82 LIPE (0.57) LIPEENPP2C5AR1LMNARAB9A
SCHEMBL28888975 0.82 RAB9A (0.45) CCR5LMNARAB9ASMN1; SMN2FFAR4
SCHEMBL14511787 0.82 PTGER1 (0.45) CCR5LMNASMN1; SMN2FFAR4PTGER1
SCHEMBL14511752 0.82 SLC6A4 (0.52) CCR5LMNARAB9ASMN1; SMN2CYP1A2
Phenylboronic Acid SCHEMBL7073128 0.82 LRRK2 (0.42) LIPEENPP2
SCHEMBL30008548 0.81 MEN1 (0.44) LMNARAB9AFFAR4NPC1CYP1A2
SCHEMBL906202 0.80 NPC1 (0.57) LIPEENPP2RAB9ASMN1; SMN2NPC1
SCHEMBL29956215 0.80 NPC1 (0.57) LIPEENPP2RAB9ASMN1; SMN2NPC1

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-7220783-B2 Para-terphenyl compounds SHIONOGI & CO., LTD. (JP) 2007-05-22 US disclosed