SCHEMBL9685980

SCHEMBL9685980

COc1cc(Cc2ccc3[nH]c(=O)sc3c2)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
TUBB4A P04350 7/20 0.50
TUBB P07437 7/20 0.50
TUBA3C P0DPH7 7/20 0.50
TUBA1B P68363 7/20 0.50
TUBA4A P68366 7/20 0.50
TUBB4B P68371 7/20 0.50
TUBB3 Q13509 7/20 0.50
TUBB2A Q13885 7/20 0.50
TUBB8 Q3ZCM7 7/20 0.50
TUBA3E Q6PEY2 7/20 0.50
TUBA1A Q71U36 7/20 0.50
TUBA1C Q9BQE3 7/20 0.50
TUBB6 Q9BUF5 7/20 0.50
TUBB2B Q9BVA1 7/20 0.50
TUBB1 Q9H4B7 7/20 0.50
HTR1A P08908 3/20 0.49
HTR2C P28335 3/20 0.49

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
SCHEMBL9685728 0.82 PDE3B (0.69) SMN1; SMN2PDE3BPDE3AHTR1AHTR2C
SCHEMBL9686038 0.77 ALDH1A1 (0.51) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL9686113 0.76 PGR (0.50) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL9205683 0.75 HTR1A (0.53) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL9484835 0.75 SMN1; SMN2 (0.67) SMN1; SMN2PDE3BPDE3ATUBB4ATUBB
SCHEMBL9685648 0.74 CMA1 (0.56) PDE3BPDE3AHTR1AHTR2CMAPT
SCHEMBL9204486 0.73 MAPT (0.59) SMN1; SMN2PDE3BPDE3AHTR1AHTR2C
SCHEMBL8910416 0.72 PTGS2 (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11206860 0.71 PDE3B (0.61) SMN1; SMN2PDE3BPDE3AHTR1AHTR2C
SCHEMBL9685633 0.70 KIF11 (0.51) PDE3BPDE3AHTR1AHTR2CMAPT

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