SCHEMBL8554381

SCHEMBL8554381

CCC(=O)c1[nH]c2cc(C(=O)OC)cc(Cc3ccccc3Cl)c2c1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
CNR1 P21554 1/20 0.41
KIF11 P52732 1/20 0.38
ALOX5 P09917 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
PTGES O14684 1/20 0.35
ALOX15 P16050 1/20 0.35
TP53 P04637 1/20 0.35
MCL1 Q07820 1/20 0.35
GRIN1 Q05586 1/20 0.34

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 0.87 PDE3B (0.52) PDE3BPDE3ASMN1; SMN2LMNACNR1
SCHEMBL8551933 0.86 PDE3B (0.51) PDE3BPDE3ASMN1; SMN2LMNACNR1
SCHEMBL8553605 0.79 ALOX5 (0.48) PDE3BPDE3ASMN1; SMN2LMNAKIF11
SCHEMBL8551838 0.77 LMNA (0.55) PDE3BPDE3ASMN1; SMN2LMNAKIF11
SCHEMBL8553612 0.76 PDE3B (0.43) PDE3BPDE3ASMN1; SMN2LMNACNR1
SCHEMBL8554409 0.76 LMNA (0.47) PDE3BPDE3ASMN1; SMN2LMNACNR1
SCHEMBL8551585 0.76 SMN1; SMN2 (0.48) PDE3BPDE3ASMN1; SMN2LMNAKIF11
SCHEMBL8555588 0.75 SMN1; SMN2 (0.47) PDE3BPDE3ASMN1; SMN2LMNAKIF11
SCHEMBL7427464 0.72 KIF11 (0.57) SMN1; SMN2KIF11NPC1RAB9AMEN1
SCHEMBL8557542 0.69 LMNA (0.42) PDE3BPDE3ASMN1; SMN2LMNANPC1

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