SCHEMBL8004293

SCHEMBL8004293

COc1ccc(C2=C(Cc3ccc(OCCN(C(C)C)C(C)C)cc3)c3ccccc3CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
MCHR1 Q99705 3/20 0.48
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
KCNH2 Q12809 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ACHE P22303 1/20 0.40
SMPD1 P17405 1/20 0.40
TSHR P16473 1/20 0.40
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
PTPN1 P18031 1/20 0.38
BCHE P06276 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8004275 0.89 ESR1 (0.54) LTA4HESR1ESR2KCNH2SMPD1
SCHEMBL8004295 0.85 ESR1 (0.55) LTA4HMCHR1ESR1ESR2ACHE
SCHEMBL4651133 0.82 MCHR1 (0.58) LTA4HMCHR1ESR1ESR2MMP1
SCHEMBL11500173 0.80 LTA4H (0.49) LTA4HMCHR1ESR1ESR2KMT2A
SCHEMBL11191693 0.80 ESR1 (0.49) LTA4HESR1ESR2MEN1KMT2A
SCHEMBL8003918 0.79 LTA4H (0.60) LTA4HESR1ESR2KCNH2EBP
SCHEMBL8004280 0.73 ESR1 (0.70) LTA4HESR1ESR2TSHREBP
SCHEMBL6595246 0.73 LTA4H (0.59) LTA4HESR1ESR2EBPSIGMAR1
SCHEMBL11188218 0.71 MCHR1 (0.46) MCHR1ESR1ESR2MEN1KMT2A
SCHEMBL8015671 0.71 EBP (0.67) LTA4HESR1ESR2EBPSIGMAR1

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-6114336-A Cosmetic composition containing a neuropeptide Y receptor antagonist SANOFI (FR) 2000-09-05 US disclosed