SCHEMBL4030855

SCHEMBL4030855

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.52
BTK Q06187 9/20 0.37
EGFR P00533 3/20 0.37
CMKLR1 Q99788 2/20 0.35
TYRO3 Q06418 2/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
MERTK Q12866 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33

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
SCHEMBL5414144 0.84 ESR1 (0.52) ESR1BTKEGFRCMKLR1MEN1
SCHEMBL4030883 0.72 ESR1 (0.68) ESR1BTKEGFRCMKLR1
SCHEMBL4025902 0.72 ESR1 (0.65) ESR1BTKEGFRCMKLR1
SCHEMBL8134821 0.72 AKT1 (0.43) MEN1KMT2A
SCHEMBL4031427 0.71 ESR1 (0.65) ESR1BTKEGFRCMKLR1
SCHEMBL4030592 0.69 ESR1 (0.69) ESR1BTKCMKLR1
SCHEMBL4025780 0.69 ESR1 (0.97) ESR1BTKEGFRCMKLR1MERTK
SCHEMBL4028914 0.68 ESR1 (0.60) ESR1BTKEGFRCMKLR1MERTK
SCHEMBL4027934 0.65 ESR1 (0.51) ESR1BTKEGFRCMKLR1
SCHEMBL4032206 0.64 ESR1 (0.62) ESR1BTKEGFR

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 2 patents. 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
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US claimed