SCHEMBL7413883

SCHEMBL7413883

CCOC(=O)NCC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
TSHR P16473 3/20 0.55
CTNNB1 P35222 2/20 0.55
WNT3A P56704 2/20 0.55
MAPK1 P28482 1/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TP53 P04637 2/20 0.49
PDE4B Q07343 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 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
SCHEMBL31314527 0.81 MEN1 (0.70) MAPTTSHRCTNNB1WNT3AMAPK1
SCHEMBL2848397 0.81 MEN1 (0.70) MAPTTSHRCTNNB1WNT3AMAPK1
SCHEMBL20524444 0.81 KMT2A (0.60) MAPTMAPK1KMT2AMEN1CYP2C19
SCHEMBL7438183 0.80 CTNNB1 (0.55) MAPTTSHRCTNNB1WNT3AKMT2A
SCHEMBL7410028 0.79 MTNR1B (0.52) MAPTMAPK1KMT2AALDH1A1POLB
SCHEMBL3652524 0.79 MAPT (0.59) MAPTTSHRCTNNB1WNT3AMAPK1
SCHEMBL10459828 0.78 CA12 (0.46) TSHRKMT2ACYP2C19POLBKDM4E
SCHEMBL10777334 0.78 TSHR (0.61) MAPTTSHRMAPK1KMT2AALDH1A1
SCHEMBL7439618 0.78 MAPT (0.52) MAPTTSHRCTNNB1WNT3AKMT2A
SCHEMBL1110132 0.78 ALDH1A1 (0.58) MAPTTSHRCTNNB1WNT3AMAPK1

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