SCHEMBL9684031

SCHEMBL9684031

O=C(CCCCl)c1ccc2[nH]c(=O)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
ESR1 P03372 1/20 0.41
PGR P06401 2/20 0.41
CMA1 P23946 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL1324743 0.91 PDE3B (0.44) PDE3BPDE3AESR1PGRCMA1
SCHEMBL9483701 0.87 PDE3B (0.43) PDE3BPDE3AESR1PGRCMA1
SCHEMBL5467462 0.86 ALDH1A1 (0.54) PDE3BPDE3AESR1PGRCMA1
SCHEMBL8785075 0.85 PDE3B (0.42) PDE3BPDE3AESR1PGRCMA1
SCHEMBL9484623 0.85 SIGMAR1 (0.50) PDE3BPDE3AESR1SMN1; SMN2SIGMAR1
SCHEMBL7252525 0.84 HSD17B3 (0.50) PDE3BPDE3AESR1SMN1; SMN2SIGMAR1
SCHEMBL9483493 0.82 CYP1A2 (0.51) PDE3BPDE3AESR1ALDH1A1SMN1; SMN2
SCHEMBL9484788 0.82 ESR1 (0.48) PDE3BPDE3AESR1PGRMAPT
SCHEMBL4200234 0.80 PDE3B (0.45) PDE3BPDE3AESR1PGRCMA1
SCHEMBL9483042 0.80 ESR1 (0.52) PDE3BPDE3AESR1PGRMAPT

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
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed