SCHEMBL20138519

SCHEMBL20138519

COc1ccc2c(c1)OC(O)CN2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP19A1 P11511 6/20 0.37
MAOB P27338 2/20 0.37
SNCA P37840 1/20 0.37
HTR2C P28335 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PGR P06401 1/20 0.36
LMNA P02545 1/20 0.36
HSPA1A P0DMV8 1/20 0.35
PTPN7 P35236 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL6969139 0.81 HTR1A (0.48) HTR1APDE3BPDE3ACYP3A4CYP19A1
SCHEMBL3309120 0.77 BRD4 (0.45) CYP3A4MAPK1CYP19A1MAOB
SCHEMBL7196340 0.75 SNCA (0.46) PDE3BPDE3ACYP3A4MAPK1CYP19A1
SCHEMBL3358045 0.74 ALDH1A1 (0.45) HTR1ALMNA
SCHEMBL5508843 0.74 ALOX15 (0.50) HTR1ACYP3A4MAPK1CYP19A1MAOB
SCHEMBL31435210 0.72 ALDH1A1 (0.49) PDE3BPDE3AMAOBSNCAHTR2C
SCHEMBL4233305 0.72 ALDH1A1 (0.49) PDE3BPDE3AMAOBSNCAHTR2C
Hydrochloric Acid SCHEMBL1851740 0.71 ALDH1A1 (0.47) PDE3BPDE3ACYP3A4MAOBSNCA
SCHEMBL914279 0.71 CA2 (0.46) PDE3BPDE3ACYP3A4MAPK1CYP19A1
SCHEMBL30060716 0.71 CA2 (0.46) PDE3BPDE3ACYP3A4MAPK1CYP19A1

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-20180132516-A1 POSITIVE ALLOSTERIC MODULATORS OF SWEET TASTE SENSORYGEN INC (US) 2018-05-17 US disclosed