SCHEMBL9055095

SCHEMBL9055095

COc1ccccc1C1=C(C(O)c2ccc(OCCN3CCCC3)cc2)c2ccccc2CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.56
HRH3 Q9Y5N1 3/20 0.52
KCNH2 Q12809 1/20 0.52
EBP Q15125 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
MCHR1 Q99705 1/20 0.46
PSMB1 P20618 2/20 0.46
PSMB5 P28074 2/20 0.46
ESR1 P03372 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD3 P35462 1/20 0.42
PSMB2 P49721 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL7110875 0.92 EBP (0.58) LTA4HHRH3KCNH2EBPSIGMAR1
SCHEMBL3861283 0.89 EBP (0.58) LTA4HHRH3KCNH2EBPSIGMAR1
SCHEMBL7529231 0.88 EBP (0.57) LTA4HHRH3KCNH2EBPSIGMAR1
SCHEMBL7110262 0.87 LTA4H (0.57) LTA4HHRH3EBPSIGMAR1MCHR1
SCHEMBL7109616 0.85 EBP (0.56) LTA4HHRH3EBPSIGMAR1PSMB1
SCHEMBL7110375 0.84 EBP (0.56) LTA4HHRH3EBPSIGMAR1MCHR1
SCHEMBL7111804 0.84 EBP (0.54) LTA4HHRH3KCNH2EBPSIGMAR1
SCHEMBL8605470 0.83 EBP (0.49) LTA4HHRH3KCNH2EBPSIGMAR1
SCHEMBL3975634 0.81 EBP (0.72) LTA4HHRH3EBPSIGMAR1ESR1
SCHEMBL7521111 0.80 EBP (0.70) LTA4HHRH3EBPSIGMAR1PSMB1

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
WO-1996009051-A1 A METHOD FOR MINIMIZING THE UTEROTROPHIC EFFECT OF TAMOXIFEN AND TAMOXIFEN ANALOGS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed