SCHEMBL8004280

SCHEMBL8004280

COc1ccc(C2=C(c3ccc(OCCN(C)C)cc3)c3ccccc3CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.70
ESR2 Q92731 10/20 0.70
EBP Q15125 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
PAX8 Q06710 1/20 0.47
TSHR P16473 1/20 0.45
LTA4H P09960 1/20 0.44

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
SCHEMBL17152127 0.93 ESR1 (0.69) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL8004295 0.88 ESR1 (0.55) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL8004275 0.84 ESR1 (0.54) ESR1ESR2PAX8TSHRLTA4H
SCHEMBL6756238 0.84 ESR1 (0.80) ESR1ESR2EBPSIGMAR1
SCHEMBL4651972 0.82 ESR1 (0.52) ESR1ESR2
SCHEMBL8003921 0.80 EBP (0.78) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL6756246 0.78 ESR1 (0.72) ESR1ESR2EBPSIGMAR1
SCHEMBL13350201 0.78 ESR1 (0.71) ESR1ESR2EBPSIGMAR1
SCHEMBL11621179 0.77 ESR1 (0.51) ESR1ESR2
SCHEMBL13109358 0.74 EBP (0.74) ESR1ESR2EBPSIGMAR1

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