SCHEMBL4025902

SCHEMBL4025902

CC(C)(Cc1ccc(-c2nn(C3CCCC3)c3c(F)cccc23)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.65
BTK Q06187 9/20 0.42
EGFR P00533 3/20 0.42
CMKLR1 Q99788 7/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 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
SCHEMBL4028868 0.84 ESR1 (0.71) ESR1BTKEGFRCMKLR1
SCHEMBL4030596 0.82 ESR1 (0.69) ESR1BTKEGFRCMKLR1
SCHEMBL4028632 0.80 ESR1 (0.65) ESR1BTKEGFR
SCHEMBL4030883 0.80 ESR1 (0.68) ESR1BTKEGFRCMKLR1
SCHEMBL4027946 0.80 ESR1 (0.65) ESR1BTKEGFRCMKLR1
SCHEMBL4027938 0.80 ESR1 (0.61) ESR1BTKEGFRCMKLR1
SCHEMBL4027904 0.79 ESR1 (1.00) ESR1BTKEGFRCMKLR1
SCHEMBL4029342 0.78 ESR1 (0.69) ESR1BTKEGFRCMKLR1
SCHEMBL4025780 0.78 ESR1 (0.97) ESR1BTKEGFRCMKLR1
SCHEMBL4028629 0.78 ESR1 (0.65) ESR1BTKEGFRCMKLR1

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-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP claimed