SCHEMBL4864211

SCHEMBL4864211

CCC(C)C(=O)NC(=O)NCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
TSHR P16473 1/20 0.55
ANPEP P15144 1/20 0.54
HPGD P15428 3/20 0.54
GAA P10253 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RAB9A P51151 3/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL25445337 0.88 HPGD (0.59) MAPK1TSHRANPEPHPGDGAA
SCHEMBL6468546 0.77 RAB9A (0.68) MAPK1TSHRHPGDMEN1KMT2A
SCHEMBL12375168 0.76 MAPK1 (0.70) MAPK1TSHRANPEPHPGDGAA
SCHEMBL4547816 0.76 CA1 (0.63) TSHRHPGDGAAKMT2AALDH1A1
SCHEMBL12211276 0.76 HPGD (0.58) MAPK1TSHRANPEPHPGDGAA
SCHEMBL12375175 0.76 HPGD (0.65) MAPK1TSHRANPEPHPGDGAA
SCHEMBL18033560 0.75 ALDH1A1 (0.56) MAPK1TSHRANPEPHPGDGAA
SCHEMBL7950040 0.74 RAB9A (0.60) MAPK1TSHRANPEPHPGDGAA
SCHEMBL27554760 0.74 HPGD (0.54) MAPK1TSHRANPEPHPGDGAA
SCHEMBL19296280 0.74 TSHR (0.58) MAPK1TSHRANPEPHPGDGAA

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-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed