SCHEMBL8553612

SCHEMBL8553612

CCc1c(Cl)[nH]c2cc(C(=O)O)cc(Cc3ccccc3Cl)c12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
GRIN1 Q05586 2/20 0.38
NR4A2 P43354 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4A O75164 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.36

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
SCHEMBL8557469 0.89 PDE3B (0.52) PDE3BPDE3ACNR1SMN1; SMN2MAPT
SCHEMBL7707823 0.82 ALOX5 (0.44) PDE3BPDE3ACNR1SMN1; SMN2MAPT
SCHEMBL8557456 0.79 LMNA (0.48) PDE3BPDE3ASMN1; SMN2MAPTLMNA
SCHEMBL8551933 0.79 PDE3B (0.51) PDE3BPDE3ACNR1SMN1; SMN2MAPT
SCHEMBL8557542 0.78 LMNA (0.42) PDE3BPDE3ASMN1; SMN2MAPTLMNA
SCHEMBL251645 0.78 ALOX5 (0.43) PDE3BPDE3ASMN1; SMN2MAPTLMNA
SCHEMBL8555747 0.78 PLK1 (0.39) PDE3BPDE3ACNR1SMN1; SMN2LMNA
SCHEMBL8554381 0.76 PDE3B (0.48) PDE3BPDE3ACNR1SMN1; SMN2MAPT
SCHEMBL7424550 0.75 ALOX5 (0.39) PDE3BPDE3ACNR1SMN1; SMN2LMNA
SCHEMBL8553605 0.71 ALOX5 (0.48) PDE3BPDE3ASMN1; SMN2MAPTLMNA

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