SCHEMBL21765283

SCHEMBL21765283

CC1CC2CC(C1)CC(C)(c1ccc(Oc3ccc(C4(C(F)(F)F)CC4)cc3)cc1)C2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.33
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL21752926 0.81 MEN1 (0.46) KDM4CEPHX2
SCHEMBL19647750 0.80 ALDH1A1 (0.47) CTSDBACE1BACE2
SCHEMBL21765281 0.77 EPHX2 (0.33) KDM4CCTSDBACE1BACE2EPHX2
SCHEMBL20245823 0.71 ALDH1A1 (0.35)
SCHEMBL19362916 0.71 MAPK1 (0.48) EPHX2
SCHEMBL25720525 0.70 MEN1 (0.39) EPHX2
SCHEMBL21606860 0.69 KDM4E (0.47) CTSDBACE1BACE2
SCHEMBL21606690 0.69 KDM4E (0.47) CTSDBACE1BACE2
SCHEMBL22703907 0.67 MAOB (0.47) BACE1
SCHEMBL23969868 0.67 LMNA (0.41) EPHX2

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
WO-2020039094-A1 PHENOXY(HETERO)ARYL ETHERS OF ANTIPROLIFERATIVE ACTIVITY Xeniopro GmbH (DE) 2020-02-27 WO disclosed