SCHEMBL19996340

SCHEMBL19996340

C=C/C=C(\C=C)C(=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
BCAT1 P54687 6/20 0.43
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2B P41595 1/20 0.39
IDO1 P14902 4/20 0.38
TNKS O95271 1/20 0.37
CHEK2 O96017 1/20 0.37
AHR P35869 1/20 0.36

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
SCHEMBL19997048 0.84 NPC1 (0.51) TTRNPC1RAB9ABCAT1LMNA
SCHEMBL3557297 0.80 TTR (0.53) TTRNPC1RAB9ABCAT1LMNA
SCHEMBL23626600 0.77 TTR (0.50) TTRNPC1RAB9ABCAT1LMNA
SCHEMBL14124715 0.76 TTR (0.59) TTRNPC1RAB9ABCAT1LMNA
SCHEMBL15071004 0.76 TTR (0.59) TTRNPC1RAB9ABCAT1LMNA
SCHEMBL3560247 0.76 NPC1 (0.57) TTRNPC1RAB9ABCAT1LMNA
SCHEMBL22423163 0.74 LMNA (0.41) TTRNPC1RAB9ABCAT1LMNA
SCHEMBL1222307 0.73 TTR (0.78) TTRNPC1RAB9ABCAT1LMNA
SCHEMBL18413421 0.72 AKT1 (0.52) RAB9ALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL10993675 0.72 TTR (0.54) TTRNPC1RAB9ABCAT1LMNA

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-9929363-B2 Composition and synthesis of aggregation-induced emission materials THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-03-27 US disclosed