SCHEMBL17694760

SCHEMBL17694760

CC(C)(c1ccc(OCCCF)cc1)c1ccc(OCCCCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ KDM4E B2RXH2 8/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ HTT P42858 2/20 0.48
▸ PSMB1 P20618 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ PSMB2 P49721 1/20 0.46
▸ AR P10275 1/20 0.44
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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 0.91 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL26747871 0.87 AR (0.44) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL14962790 0.86 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL14962789 0.84 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL14707395 0.84 AR (0.50) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL9492663 0.83 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL17694758 0.83 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL17694796 0.83 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL12516013 0.83 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL12515795 0.83 ESR1 (0.55) 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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