SCHEMBL21686641

SCHEMBL21686641

CCC(C)C(C(=O)O)c1cc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
DRD2 P14416 2/20 0.45
KDM4E B2RXH2 7/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
DAO P14920 1/20 0.44
SRD5A2 P31213 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 3/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FLT3 P36888 1/20 0.41
IDO1 P14902 1/20 0.41
DRD3 P35462 1/20 0.40
MAPK1 P28482 1/20 0.40
CCKAR P32238 1/20 0.40

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
SCHEMBL21686469 0.85 ALOX5 (0.55) ALOX5DRD2KDM4EHPGDMAPT
SCHEMBL29875286 0.81 ALOX5 (0.50) ALOX5DRD2KDM4EHPGDMAPT
SCHEMBL977577 0.81 ALOX5 (0.50) ALOX5DRD2KDM4EHPGDMAPT
SCHEMBL6330359 0.79 ALOX5 (0.47) ALOX5DRD2KDM4EHPGDMAPT
SCHEMBL1767751 0.79 ALOX5 (0.57) ALOX5KDM4EHPGDMAPTDAO
SCHEMBL29875597 0.79 ALOX5 (0.57) ALOX5KDM4EHPGDMAPTDAO
SCHEMBL5054384 0.76 DRD2 (0.40) ALOX5DRD2LMNASMN1; SMN2IDO1
SCHEMBL7814836 0.76 ALOX5 (0.50) ALOX5DRD2KDM4EHPGDMAPT
SCHEMBL31497395 0.75 ALOX5 (0.48) ALOX5DRD2KDM4EHPGDMAPT
SCHEMBL26012345 0.75 ALOX5 (0.49) ALOX5KDM4EHPGDMAPTLMNA

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-20200033314-A1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS ADVANCED CHEMICAL SYSTEMS, INC. 2020-01-30 US disclosed