SCHEMBL13082802

SCHEMBL13082802

CCCCOc1c(Br)c(C(C)C2CC2)c(F)c(C)c1C(=O)Oc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.35
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TAOK3 Q9H2K8 3/20 0.33
TAOK1 Q7L7X3 2/20 0.33
LMNA P02545 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
KMT2A Q03164 2/20 0.33
LTA4H P09960 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.32
CYP2C9 P11712 2/20 0.32
RECQL P46063 1/20 0.32
NPC1 O15118 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL18602758 0.88 FAAH (0.39) FAAHALOX5PPARGPPARALMNA
SCHEMBL9289071 0.88 LMNA (0.38) FAAHALOX5PPARGPPARALMNA
SCHEMBL16299335 0.86 FAAH (0.36) FAAHALOX5PPARGPPARALMNA
SCHEMBL16299327 0.85 FAAH (0.37) FAAHALOX5PPARGPPARALMNA
SCHEMBL9290215 0.83 ALDH1A1 (0.34) FAAHLMNACYP1A2KMT2ACYP2C9
SCHEMBL10262710 0.82 FAAH (0.37) FAAHALOX5PPARGPPARALMNA
SCHEMBL9289915 0.80 LMNA (0.39) FAAHALOX5PPARGPPARALMNA
SCHEMBL13082978 0.80 FAAH (0.38) FAAHALOX5PPARGPPARALMNA
SCHEMBL9289892 0.80 MEN1 (0.32) FAAHLMNAKMT2A
SCHEMBL6128441 0.79 FAAH (0.38) FAAHALOX5PPARGPPARALMNA

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-2010129057-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed