SCHEMBL8553605

SCHEMBL8553605

CCc1[nH]c2cc(C(=O)OC)cc(Cc3ccccc3Cl)c2c1C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
PTGES O14684 1/20 0.42
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
KIF11 P52732 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 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
SCHEMBL8551585 0.92 SMN1; SMN2 (0.48) ALOX5PDE3BPDE3ASMN1; SMN2LMNA
SCHEMBL7707823 0.89 ALOX5 (0.44) ALOX5PDE3BPDE3ASMN1; SMN2LMNA
SCHEMBL8551933 0.88 PDE3B (0.51) ALOX5PDE3BPDE3ASMN1; SMN2LMNA
SCHEMBL8551838 0.87 LMNA (0.55) ALOX5PDE3BPDE3ASMN1; SMN2LMNA
SCHEMBL8557469 0.83 PDE3B (0.52) ALOX5PDE3BPDE3ASMN1; SMN2LMNA
SCHEMBL8555588 0.82 SMN1; SMN2 (0.47) ALOX5PDE3BPDE3ASMN1; SMN2LMNA
SCHEMBL8554409 0.82 LMNA (0.47) ALOX5PDE3BPDE3ASMN1; SMN2LMNA
SCHEMBL251645 0.81 ALOX5 (0.43) ALOX5PDE3BPDE3ASMN1; SMN2LMNA
SCHEMBL8554381 0.79 PDE3B (0.48) ALOX5PDE3BPDE3ASMN1; SMN2LMNA
SCHEMBL8551861 0.78 ALOX5 (0.41) ALOX5PDE3BPDE3ASMN1; SMN2LMNA

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