SCHEMBL4027946

SCHEMBL4027946

CC(C)(C)C(C(=O)O)c1ccc(-c2nn(C3CCCC3)c3c(F)cccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.65
CMKLR1 Q99788 11/20 0.39
BTK Q06187 6/20 0.37
EGFR P00533 3/20 0.36

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
SCHEMBL4030592 0.87 ESR1 (0.69) ESR1CMKLR1BTK
SCHEMBL4025902 0.80 ESR1 (0.65) ESR1CMKLR1BTKEGFR
SCHEMBL4030883 0.80 ESR1 (0.68) ESR1CMKLR1BTKEGFR
SCHEMBL4027904 0.79 ESR1 (1.00) ESR1CMKLR1BTKEGFR
SCHEMBL4029342 0.78 ESR1 (0.69) ESR1CMKLR1BTKEGFR
SCHEMBL4025780 0.78 ESR1 (0.97) ESR1CMKLR1BTKEGFR
SCHEMBL4028868 0.78 ESR1 (0.71) ESR1CMKLR1BTKEGFR
SCHEMBL4027938 0.78 ESR1 (0.61) ESR1CMKLR1BTKEGFR
SCHEMBL4030187 0.78 ESR1 (0.61) ESR1CMKLR1BTKEGFR
SCHEMBL4031188 0.76 ESR1 (0.72) ESR1CMKLR1BTKEGFR

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 disclosed