SCHEMBL18286153

SCHEMBL18286153

CC(=O)Nc1ccc(C(=O)N2CCCCC2C)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.75
HPGD P15428 1/20 0.75
ALDH1A1 P00352 2/20 0.73
NAMPT P43490 2/20 0.67
PREP P48147 2/20 0.64
HSD11B1 P28845 1/20 0.63
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
LMNA P02545 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.55
GRM5 P41594 1/20 0.55
POLB P06746 2/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL13753548 0.96 PREP (0.70) GAAHPGDALDH1A1NAMPTPREP
SCHEMBL10720276 0.87 GAA (1.00) GAAHPGDALDH1A1NAMPTHSD11B1
SCHEMBL3643262 0.83 GAA (0.80) GAAHPGDALDH1A1NAMPTHSD11B1
SCHEMBL14825254 0.82 HSD11B1 (0.77) GAAHPGDALDH1A1NAMPTHSD11B1
SCHEMBL18286158 0.81 PREP (0.58) GAAALDH1A1NAMPTPREPHSD11B1
SCHEMBL3701309 0.80 NAMPT (1.00) GAAHPGDALDH1A1NAMPT
SCHEMBL16254905 0.80 GAA (0.84) GAAHPGDALDH1A1NAMPTHSD11B1
SCHEMBL788241 0.80 GAA (0.84) GAAHPGDALDH1A1NAMPTHSD11B1
SCHEMBL16254982 0.80 HPGD (0.84) GAAHPGDALDH1A1NAMPTHSD11B1
SCHEMBL2729249 0.80 GAA (0.84) GAAHPGDALDH1A1NAMPTHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303291-A1 ROR GAMMA (ROR ) MODULATORS Lead Pharma Holding B.V. (NL) 2018-04-11 EP claimed
WO-2016193452-A1 ROR GAMMA (RORγ) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-12-08 WO claimed