SCHEMBL8978096

SCHEMBL8978096

CCCCS(=O)(=O)c1ccc(-c2sc3cc(S(=O)(=O)CCCC)ccc3c2-c2[c]ccc(OCCN3CCCCC3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.51
ESR2 Q92731 9/20 0.51
ENPP3 O14638 6/20 0.45
ENPP1 P22413 6/20 0.45
ABCC1 P33527 1/20 0.43
STS P08842 1/20 0.42
ITGA4 P13612 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
SCHEMBL9056354 0.96 ESR1 (0.54) ESR1ESR2ABCC1STS
SCHEMBL8589095 0.94 ESR1 (0.60) ESR1ESR2ABCC1STS
SCHEMBL7942841 0.83 ESR1 (0.52) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL7944330 0.81 ESR1 (0.51) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL7944288 0.81 ESR1 (0.51) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL4651812 0.80 ESR1 (0.71) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL7942816 0.80 ESR1 (0.50) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL4651711 0.79 ESR1 (0.69) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL2057145 0.79 ESR1 (0.64) ESR1ESR2
SCHEMBL8042270 0.79 ESR1 (0.69) ESR1ESR2ENPP3ENPP1ABCC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716854-A2 Compositions for inhibiting neuropeptide y receptors ELI LILLY AND COMPANY (US) 1996-06-19 EP disclosed
EP-0709090-A2 Compositions for treating resistant tumors ELI LILLY AND COMPANY (US) 1996-05-01 EP disclosed
EP-0707852-A2 Bicyclic bradykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-04-24 EP disclosed