SCHEMBL17849907

SCHEMBL17849907

CCCCOc1c(NCc2ccccc2)c(C(C)OC)c(F)c(C)c1C(=O)Oc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
FAAH O00519 8/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADORA1 P30542 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
SCHEMBL18372961 0.92 FAAH (0.39) LMNAALDH1A1MAPTHPGDL3MBTL1
SCHEMBL12111239 0.90 FAAH (0.37) LMNAALDH1A1MAPTHPGDL3MBTL1
SCHEMBL16299335 0.83 FAAH (0.36) LMNAMAPTL3MBTL1FAAHTSHR
SCHEMBL17849906 0.82 FAAH (0.33) LMNAFAAHTSHRMEN1KMT2A
SCHEMBL18766737 0.82 HPGD (0.37) LMNAALDH1A1MAPTHPGDL3MBTL1
SCHEMBL16299401 0.80 FAAH (0.36) LMNAMAPTFAAHTSHRMEN1
SCHEMBL16299327 0.77 FAAH (0.37) LMNAMAPTL3MBTL1FAAHTSHR
SCHEMBL18602758 0.77 FAAH (0.39) LMNAL3MBTL1FAAHTSHRKMT2A
SCHEMBL17849881 0.76 FAAH (0.34) LMNAFAAHTSHRMEN1POLB
SCHEMBL13082978 0.76 FAAH (0.38) LMNAMAPTFAAHTSHRPOLB

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
US-9371283-B2 Polycyclic tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-06-21 US disclosed