SCHEMBL7409986

SCHEMBL7409986

COc1cc2[nH]c(=O)nc(CC3CC4CCC3C4)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.43
PDE3A Q14432 4/20 0.43
ALDH1A1 P00352 7/20 0.40
HTT P42858 2/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.36
SPIN1 Q9Y657 1/20 0.36
PDGFRB P09619 5/20 0.35
PDGFRA P16234 5/20 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
SCHEMBL7414959 0.74 PDE3B (0.56) PDE3BPDE3AALDH1A1POLBKDM4E
SCHEMBL7412993 0.72 PDE3B (0.44) PDE3BPDE3AALDH1A1HTTPOLB
SCHEMBL7409832 0.70 P2RX3 (0.40) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL7408010 0.66 PDE3B (0.60) PDE3BPDE3AALDH1A1HTTPOLB
SCHEMBL15859207 0.65 PDE3B (0.58) PDE3BPDE3AALDH1A1HTTPOLB
SCHEMBL8934788 0.62 LMNA (0.40) ALDH1A1HTTKDM4ELMNATP53
SCHEMBL11116678 0.62 PDE3B (0.51) PDE3BPDE3AALDH1A1KDM4ESMN1; SMN2
SCHEMBL11608889 0.60 PDE3B (1.00) PDE3BPDE3AALDH1A1KDM4ESMN1; SMN2
SCHEMBL10974105 0.58 GABRA1 (0.48) PDE3BPDE3AALDH1A1HTTKDM4E
SCHEMBL7983948 0.58 KDM4E (0.61) PDE3BPDE3AALDH1A1KDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107398-B1 ORTHO SUBSTITUTED DIHYDROXY-2(1H)QUINAZOLINONE-1-ALKANOIC ACIDS ORTHO PHARMA CORP (US) 1988-06-08 EP disclosed
US-4631283-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-23 US disclosed
US-4490374-A CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1984-12-25 US disclosed
EP-0107398-A1 Ortho substituted dihydroxy-2(1H)quinazolinone-1-alkanoic acids ORTHO PHARMACEUTICAL CORPORATION (US) 1984-05-02 EP disclosed