SCHEMBL8557542

SCHEMBL8557542

CC(=O)c1[nH]c2cc(C(=O)O)cc(Cc3ccccc3Cl)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
GRIN1 Q05586 2/20 0.39
MAPT P10636 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL8557456 0.85 LMNA (0.48) LMNAMAPK1PDE3BPDE3AALDH1A1
SCHEMBL7707823 0.81 ALOX5 (0.44) LMNAMAPK1PDE3BPDE3AALDH1A1
SCHEMBL251645 0.79 ALOX5 (0.43) LMNAMAPK1PDE3BPDE3AALDH1A1
SCHEMBL8553612 0.78 PDE3B (0.43) LMNAPDE3BPDE3ASMN1; SMN2GRIN1
SCHEMBL8551838 0.74 LMNA (0.55) LMNAMAPK1PDE3BPDE3AALDH1A1
SCHEMBL8556569 0.73 ROCK2 (0.63) LMNAMAPK1ALDH1A1PKMHTT
SCHEMBL8555747 0.72 PLK1 (0.39) LMNAPDE3BPDE3ASMN1; SMN2GRIN1
SCHEMBL7424550 0.72 ALOX5 (0.39) LMNAPDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL8553605 0.70 ALOX5 (0.48) LMNAMAPK1PDE3BPDE3AALDH1A1
SCHEMBL8551585 0.69 SMN1; SMN2 (0.48) LMNAMAPK1PDE3BPDE3AALDH1A1

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-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed