SCHEMBL6665481

SCHEMBL6665481

CC(=O)CC(=O)n1ccc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.66
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPK1 P28482 2/20 0.49
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
TFPI2 P48307 1/20 0.40
NPY4R P50391 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL31470926 1.00 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL25937249 0.84 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL13041449 0.83 NOTUM (0.57) NOTUMTSHRRAB9AL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL25430303 0.82 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL30452280 0.82 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL2997057 0.82 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL41252 0.80 NOTUM (1.00) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL29506395 0.80 NOTUM (1.00) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL30452423 0.79 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL3004386 0.79 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1MAPK1

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
WO-2021077425-A1 TRANSAMINASE MUTANT AND USE THEREOF 凯莱英医药化学(阜新)技术有限公司 2021-04-29 WO disclosed
WO-2004013252-A1 ELECTROLUMINESCENT MATERIALS AND DEVICES ELAM-T LIMITED (GB) 2004-02-12 WO disclosed