SCHEMBL6691853

SCHEMBL6691853

CCN(C(C)=O)c1ccccc1C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
GLA P06280 1/20 0.44
TP53 P04637 3/20 0.42
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
TSPO P30536 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCC1 P33527 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
SCHEMBL26444540 0.81 SMN1; SMN2 (0.44) ALDH1A1TSHRGLATP53LMNA
SCHEMBL27320089 0.81 TSHR (0.47) ALDH1A1TSHRGLATP53LMNA
SCHEMBL26423790 0.79 TSHR (0.47) ALDH1A1TSHRGLATP53LMNA
SCHEMBL7723689 0.79 LMNA (0.63) ALDH1A1TSHRGLATP53LMNA
SCHEMBL9081949 0.79 ALDH1A1 (0.46) ALDH1A1TSHRGLATP53LMNA
SCHEMBL8041152 0.78 TP53 (0.50) ALDH1A1TSHRGLATP53LMNA
SCHEMBL5512527 0.78 ALDH1A1 (0.48) ALDH1A1TSHRGLATP53LMNA
SCHEMBL6692681 0.78 TSHR (0.44) ALDH1A1TSHRGLATP53LMNA
SCHEMBL28048251 0.78 ESR1 (0.45) ALDH1A1TSHRGLATP53LMNA
SCHEMBL9796324 0.76 LMNA (0.40) ALDH1A1TSHRGLATP53LMNA

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
CN-102516252-A Preparation method of Nedocromil sodium SICHUAN DIHON MEDICAL DEV CO LTD 2012-06-27 CN disclosed
WO-2004087637-A1 PRODUCTION OF N-ALKYLAMIDE COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-10-14 WO disclosed