SCHEMBL8730398

SCHEMBL8730398

O=C(O)C(=Cc1ccccc1)c1ccccc1Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.56
AKR1C1 Q04828 1/20 0.51
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 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
SCHEMBL2106716 0.83 CTNNB1 (0.59) CTNNB1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2847810 0.83 CTNNB1 (0.59) CTNNB1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6576793 0.82 AKR1C2 (0.56) AKR1C1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL1646802 0.80 AKR1C1 (0.69) AKR1C1KMT2AMEN1LMNAALDH1A1
SCHEMBL2106717 0.79 CTNNB1 (0.54) CTNNB1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2847807 0.79 CTNNB1 (0.54) CTNNB1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2106712 0.79 CTNNB1 (0.54) CTNNB1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4782537 0.75 CTNNB1 (0.67) CTNNB1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1798 0.75 CTNNB1 (0.71) CTNNB1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL466194 0.75 CTNNB1 (0.71) CTNNB1KMT2AMEN1SMN1; SMN2LMNA

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-0809622-A4 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC (US) 1998-07-08 EP claimed
EP-0809622-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1997-12-03 EP claimed
WO-1996025383-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1996-08-22 WO claimed
US-5530157-A NON-STEROID ANTIINFLAMMATORY DRUG SCIOS NOVA INC. (US) 1996-06-25 US claimed