SCHEMBL17972913

SCHEMBL17972913

CC(C)c1cccc(Br)c1OC(=O)N[C@H](C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL28369492 1.00 MEN1 (0.45) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL18272207 0.90 ALDH1A1 (0.50) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL17973023 0.86 EPHX1 (0.43) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL3435521 0.82 MEN1 (0.48) MEN1KMT2A
SCHEMBL3435870 0.82 MEN1 (0.48) MEN1KMT2A
SCHEMBL249390 0.82 MEN1 (0.48) MEN1KMT2A
SCHEMBL17533469 0.80 EPHX1 (0.44) LMNA
SCHEMBL17533347 0.80 EPHX1 (0.44) LMNA
SCHEMBL17533339 0.80 EPHX1 (0.44) LMNA
SCHEMBL17533286 0.80 EPHX1 (0.44) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108483-B Preparation method and intermediate of 2- [ 1-cycloalkylethyl ] phenol 四川海思科制药有限公司 2020-05-22 CN disclosed
CN-107074675-B Preparation method of chiral 2- [ 1-cyclopropylethyl ] -6-isopropyl-phenol 四川海思科制药有限公司 2019-12-20 CN disclosed
WO-2016119758-A1 METHOD FOR PREPARING CHIRAL 2-[1-CYCLOPROPYLETHYL]-6-ISOPROPYL-PHENOL 四川海思科制药有限公司 2016-08-04 WO disclosed
WO-2016119757-A1 METHOD FOR PREPARING 2-[1-CYCLOALKYLETHYL] PHENOL AND INTERMEDIATE THEREOF 四川海思科制药有限公司 2016-08-04 WO disclosed