SCHEMBL8064216

SCHEMBL8064216

CCc1ccc(C(O)c2ccc(F)cc2)cc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.40
AOC3 Q16853 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
BRD4 O60885 2/20 0.37
CREBBP Q92793 1/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL8078157 0.88 CES2 (0.37) NR3C1AOC3LMNAALDH1A1BRD4
SCHEMBL8077592 0.85 CES2 (0.44) LMNABRD4CREBBPMAPTHDAC4
SCHEMBL8074863 0.84 CES2 (0.44)
SCHEMBL2755399 0.84 LMNA (0.44) LMNAMAPK1
SCHEMBL8064415 0.82 CYP3A4 (0.42) MAPT
SCHEMBL8079476 0.80 SLC6A4 (0.37)
SCHEMBL8074559 0.79 LMNA (0.35) AOC3LMNAALDH1A1HTTKDM4E
SCHEMBL8077682 0.78 LMNA (0.41) LMNAALDH1A1
SCHEMBL21831133 0.77 F2RL1 (0.45) AOC3LMNAALDH1A1BRD4CREBBP
SCHEMBL30910896 0.77 F2RL1 (0.45) AOC3LMNAALDH1A1BRD4CREBBP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed
WO-1999045017-A1 METHYL RED ENERGY TRANSFER REAGENT FOR DNA ANALYSIS ASTRAZENECA UK LIMITED (GB) 1999-09-10 WO disclosed
WO-1999034790-A1 GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-07-15 WO disclosed