SCHEMBL9685722

SCHEMBL9685722

COc1ccc(-c2ccc3[nH]c(=O)sc3c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.76
PDE3A Q14432 3/20 0.76
PGR P06401 2/20 0.55
PSMB8 P28062 1/20 0.49
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1848088 0.86 PDE3B (1.00) PDE3BPDE3APGRPSMB8ALDH1A1
SCHEMBL9484426 0.81 PDE3B (0.68) PDE3BPDE3APGRALDH1A1SMN1; SMN2
SCHEMBL9685728 0.80 PDE3B (0.69) PDE3BPDE3APSMB8ALDH1A1SMN1; SMN2
SCHEMBL9685741 0.80 PGR (0.71) PDE3BPDE3APGRSMN1; SMN2NPC1
SCHEMBL9483327 0.79 PDE3B (0.68) PDE3BPDE3APSMB8ALDH1A1SMN1; SMN2
SCHEMBL8799197 0.78 PDE3B (0.77) PDE3BPDE3APSMB8ALDH1A1SMN1; SMN2
SCHEMBL9484783 0.78 PDE3B (0.66) PDE3BPDE3APSMB8ALDH1A1SMN1; SMN2
SCHEMBL2439269 0.77 PDE3B (0.66) PDE3BPDE3APGRALDH1A1GRIA1
SCHEMBL11213147 0.72 PDE3B (0.68) PDE3BPDE3APSMB8ALDH1A1KDM4E
SCHEMBL3363620 0.72 KDM4E (0.70) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1

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