SCHEMBL21765281

SCHEMBL21765281

FC(F)(F)C1(c2ccc(Oc3ccc(C45CC6CC(CC4C6)C5)cc3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.33
KDM4C Q9H3R0 1/20 0.32
ALOX5AP P20292 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
RAB9A P51151 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 0.84 MEN1 (0.46) EPHX2KDM4CMEN1KMT2AALDH1A1
SCHEMBL21765346 0.78 EPHX2 (0.39) EPHX2MEN1KMT2AGAAMAPT
SCHEMBL21606698 0.78 ALDH1A1 (0.51) EPHX2MEN1KMT2AALDH1A1LMNA
SCHEMBL21765283 0.77 KDM4C (0.33) EPHX2KDM4CCTSDBACE1BACE2
SCHEMBL19362954 0.73 SRD5A2 (0.47) EPHX2MEN1KMT2AGAAMAPT
SCHEMBL20482167 0.68 RXRA (0.49) EPHX2KDM4CALDH1A1L3MBTL1
SCHEMBL19362915 0.68 HPGD (0.50) EPHX2ALDH1A1LMNAL3MBTL1
SCHEMBL21628479 0.67 PARP10 (0.58) KMT2AALDH1A1
SCHEMBL19173263 0.67 MEN1 (0.68) ALOX5APMEN1KMT2AALDH1A1LMNA
SCHEMBL21606691 0.67 KDM4E (0.50) ALOX5APMEN1KMT2AALDH1A1LMNA

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