SCHEMBL20118229

SCHEMBL20118229

N[C@H]1CC[C@@]2(CC1)NC(=O)N(c1ccccc1Cl)C2=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.41
PGR P06401 1/20 0.38
HSD11B1 P28845 2/20 0.37
ALOX5 P09917 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL20118127 1.00 MGLL (0.41) MGLLPGRHSD11B1ALOX5POLB
SCHEMBL20118053 0.86 MGLL (0.41) MGLLPGRHSD11B1ALOX5POLB
SCHEMBL13879568 0.84 MGLL (0.47) MGLLPGRALOX5POLBKMT2A
SCHEMBL20118120 0.81 MGLL (0.45) MGLLPGRHSD11B1ALOX5POLB
SCHEMBL21151261 0.81 ADRB1 (0.47) MGLLPGRALOX5POLBMEN1
SCHEMBL20118398 0.81 MKNK1 (0.43) MGLLPGRMEN1KMT2AALDH1A1
SCHEMBL20118126 0.81 MKNK1 (0.43) MGLLPGRMEN1KMT2AALDH1A1
SCHEMBL20118058 0.79 ACHE (0.44) MEN1KMT2A
SCHEMBL20118059 0.79 ACHE (0.44) MEN1KMT2A
SCHEMBL20118393 0.78 GAA (0.43) MGLLPGRALOX5POLBALDH1A1

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-2018078009-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed