SCHEMBL11458052

SCHEMBL11458052

CCNC(CC)C(O)c1ccc(OC(C)=O)c2[nH]c(=O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.53
ADRB1 P08588 10/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
DRD2 P14416 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
KMT2A Q03164 1/20 0.53
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 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
Hydrochloric Acid SCHEMBL11458500 0.99 KDM4E (0.53) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL11448859 0.88 ADRB2 (0.69) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL11448280 0.86 ADRB2 (0.48) ADRB2ADRB1KDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL11466527 0.85 KDM4E (0.48) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL11455672 0.84 ADRB2 (0.48) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL11459610 0.82 ADRB2 (0.46) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL11459611 0.82 ADRB2 (0.48) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL11456168 0.82 ADRB2 (0.76) ADRB2ADRB1KDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL11466712 0.81 KDM4E (0.48) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL11457889 0.80 ADRB2 (0.43) ADRB2ADRB1KDM4EMEN1LMNA

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-4223137-A DILATION, HYPOTENSIVES, ANTIHISTAMINES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-09-16 US claimed