SCHEMBL20188093

SCHEMBL20188093

CC(C)COc1cc(CCOC(N)=O)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL17844801 0.77 HTT (0.52) LMNAKDM4ECYP1A2
SCHEMBL22526055 0.76 CYP4F2 (0.41) CYP4F2CYP4A11KCNH2TMEM97SIGMAR1
SCHEMBL23845279 0.75 CYP4F2 (0.37) CYP4F2CYP4A11KCNH2TMEM97SIGMAR1
SCHEMBL20191206 0.75 APP (0.50) LMNAKDM4ETP53
SCHEMBL20189994 0.74 ALDH1A1 (0.41) CYP4F2CYP4A11KCNH2TMEM97SIGMAR1
SCHEMBL29307149 0.74 CYP4F2 (0.36) CYP4F2CYP4A11KCNH2TMEM97SIGMAR1
SCHEMBL22723271 0.74 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL22723270 0.74 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL28003037 0.73 ATM (0.59) KDM4ECYP1A2
SCHEMBL22525834 0.73 FUT7 (0.38) KCNH2TMEM97SIGMAR1CYP1A2

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-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
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