SCHEMBL7625843

SCHEMBL7625843

Oc1ccc(C2(c3ccc(OCCN4CCCCC4)cc3)CCc3cc(O)ccc3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.58
ESR2 Q92731 18/20 0.58
PSMB1 P20618 1/20 0.58
PSMB5 P28074 1/20 0.58
PSMB2 P49721 1/20 0.58

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
SCHEMBL5070352 0.94 ESR1 (0.59) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL699174 0.77 ESR1 (0.76) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1359959 0.77 ESR1 (0.76) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL2475993 0.76 ESR1 (0.75) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL6244353 0.75 ESR1 (0.55) ESR1ESR2
SCHEMBL6801025 0.75 HRH3 (0.57) ESR1ESR2
Hydrochloric Acid SCHEMBL6249713 0.75 ESR1 (0.56) ESR1ESR2
Hydrochloric Acid SCHEMBL6246844 0.75 ESR1 (0.56) ESR1ESR2
Hydrochloric Acid SCHEMBL6245406 0.75 ESR1 (0.56) ESR1ESR2
SCHEMBL6286153 0.73 ESR1 (1.00) ESR1ESR2

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
EP-1236475-A2 Combination therapy for osteoporosis consisting of an estrogen agonist/antagonist and a growth hormone secretagogue PFIZER INC. (US) 2002-09-04 EP disclosed