SCHEMBL17694826

SCHEMBL17694826

CC(C)(c1ccc(OCCCCl)cc1)c1ccc(OCC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PSMB1 P20618 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ PSMB2 P49721 1/20 0.42
▸ KDM4E B2RXH2 8/20 0.41
▸ ALDH1A1 P00352 7/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ HTT P42858 2/20 0.41
▸ AR P10275 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL12515796 0.85 SMN1; SMN2 (0.56) SMN1; SMN2PSMB1PSMB5PSMB2KDM4E
SCHEMBL17694796 0.84 SMN1; SMN2 (0.43) SMN1; SMN2PSMB1PSMB5PSMB2KDM4E
SCHEMBL17694797 0.82 SMN1; SMN2 (0.42) SMN1; SMN2PSMB1PSMB5PSMB2KDM4E
SCHEMBL17694793 0.82 AR (0.45) SMN1; SMN2PSMB1PSMB5PSMB2KDM4E
SCHEMBL17694758 0.81 SMN1; SMN2 (0.46) SMN1; SMN2PSMB1PSMB5PSMB2KDM4E
SCHEMBL17694760 0.81 SMN1; SMN2 (0.53) SMN1; SMN2PSMB1PSMB5PSMB2KDM4E
SCHEMBL14962790 0.80 SMN1; SMN2 (0.51) SMN1; SMN2PSMB1PSMB5PSMB2KDM4E
SCHEMBL14707388 0.80 AR (0.49) SMN1; SMN2PSMB1PSMB5PSMB2KDM4E
SCHEMBL14695055 0.79 AR (0.69) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL14695056 0.79 AR (0.69) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A

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-2016058080-A1 FLUORO-CHLORO BISPHENOL ETHER COMPOUNDS AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2016-04-21 — — WO disclosed
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