SCHEMBL18653962

SCHEMBL18653962

CC(NC(=O)c1cccc(CCc2ccc(O)cc2)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.53
▸ GPR132 Q9UNW8 1/20 0.53
▸ MRGPRX4 Q96LA9 1/20 0.51
▸ HPGD P15428 1/20 0.48
▸ CYP4F2 P78329 2/20 0.48
▸ CYP4A11 Q02928 2/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAP1LC3B Q9GZQ8 1/20 0.45
▸ MAP1LC3A Q9H492 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GLI1 P08151 1/20 0.45
▸ GLI2 P10070 1/20 0.45
▸ SLC7A5 Q01650 2/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GFER P55789 1/20 0.43

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
SCHEMBL15989120 0.82 GPR132 (0.58) GPR132MRGPRX4HPGD
SCHEMBL18653931 0.80 LNPEP (0.51) PDE5A
SCHEMBL18867826 0.80 GPR132 (0.51) GPR132MRGPRX4HPGDMAP1LC3BMAP1LC3A
SCHEMBL18653960 0.78 LNPEP (0.43) HPGDMEN1KMT2ATSHR
SCHEMBL16800047 0.77 GPR132 (0.46) PDE5AGPR132MRGPRX4HPGDCYP4F2
SCHEMBL16800046 0.77 GPR132 (0.46) PDE5AGPR132MRGPRX4HPGDCYP4F2
SCHEMBL16800041 0.76 GPR132 (0.45) PDE5AGPR132MRGPRX4HPGDCYP4F2
SCHEMBL16800026 0.76 GPR132 (0.45) PDE5AGPR132MRGPRX4HPGDCYP4F2
SCHEMBL16802471 0.76 GPR132 (0.45) PDE5AGPR132MRGPRX4HPGDCYP4F2
SCHEMBL16800028 0.76 GPR132 (0.45) PDE5AGPR132MRGPRX4HPGDCYP4F2

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
EP-2958889-B1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS SCRIPPS RESEARCH INST (US) 2017-03-22 — — EP disclosed
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