SCHEMBL7209895

SCHEMBL7209895

C=Cc1ccc(OC(COCC)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SLC7A5 Q01650 1/20 0.39
RELA Q04206 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
HRH3 Q9Y5N1 2/20 0.36
NPC1 O15118 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
MTOR P42345 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 2/20 0.36
KCNK2 O95069 2/20 0.36
KCNH2 Q12809 2/20 0.36
CACNA1C Q13936 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL27680557 0.77 MEN1 (0.45) MEN1KMT2ATAAR1RELANPC1
SCHEMBL7181023 0.77 MEN1 (0.41) SLC6A4MEN1KMT2ATAAR1RELA
SCHEMBL6885143 0.73 LTB4R (0.51) TSHRKCNH2LTB4RLTB4R2ALDH1A1
Styrene SCHEMBL1732622 0.72 ALDH1A1 (0.64) MEN1KMT2ARELACYP2D6MTOR
SCHEMBL5198675 0.71 TAS1R3 (0.37) SLC6A4MEN1KMT2ATAAR1SLC7A5
SCHEMBL23868115 0.71 OPRM1 (0.40) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL22861403 0.71 OPRM1 (0.40) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL5443534 0.71 OPRM1 (0.40) SLC6A4SLC6A2SLC6A3CYP2D6TSHR
SCHEMBL5198305 0.71 ALDH1A1 (0.42) MEN1KMT2ATAAR1NPC1CYP2D6
Styrene SCHEMBL1007358 0.70 ALDH1A1 (0.61) MEN1KMT2ARELACYP2D6TSHR

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
EP-1344109-A2 ONIUM SALTS AND THE USE THEROF AS LATENT ACIDS Ciba SC Holding AG (CH) 2003-09-17 EP disclosed
WO-2002046507-A2 ONIUM SALTS AND THE USE THEROF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-13 WO disclosed