SCHEMBL11069425

SCHEMBL11069425

OC(O)CC1CCc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
PLAU P00749 1/20 0.46
HTR1A P08908 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
MMP1 P03956 2/20 0.44
FCER2 P06734 2/20 0.44
MMP9 P14780 2/20 0.44
MMP3 P08254 1/20 0.44
GBA1 P04062 1/20 0.43
ANPEP P15144 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
PREP P48147 4/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41

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
SCHEMBL15701675 0.82 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1GBA1
SCHEMBL1689627 0.82 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1GBA1
SCHEMBL6570371 0.82 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1GBA1
SCHEMBL19676939 0.81 CYP19A1 (0.50) CYP19A1PLAUHTR1ASIGMAR1MMP1
SCHEMBL6571517 0.79 MMP1 (0.52) CYP19A1HTR1ASIGMAR1MMP1FCER2
SCHEMBL6571514 0.79 MMP1 (0.52) CYP19A1HTR1ASIGMAR1MMP1FCER2
SCHEMBL6573689 0.79 MMP1 (0.52) CYP19A1HTR1ASIGMAR1MMP1FCER2
SCHEMBL7809851 0.79 MMP1 (0.52) CYP19A1HTR1ASIGMAR1MMP1FCER2
SCHEMBL16759785 0.79 CYP19A1 (0.47) CYP19A1PLAUHTR1ASIGMAR1MMP1
SCHEMBL6950638 0.77 CYP19A1 (0.46) CYP19A1PLAUHTR1ASIGMAR1MMP1

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-4471052-A Biosynthesis of simplified anthracyclines ADRIA LABORATORIES, INC. (US) 1984-09-11 US disclosed