SCHEMBL9803295

SCHEMBL9803295

O=C(O)c1cccc(OCCCCOc2cccc(C(=O)O)c2)c1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.80
NR4A2 P43354 6/20 0.69
PLA2G4B P0C869 1/20 0.66
AKR1C3 P42330 1/20 0.63
PRSS1 P07477 4/20 0.62
NR1H4 Q96RI1 3/20 0.62
POLB P06746 1/20 0.60
TBXAS1 P24557 1/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59

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
SCHEMBL4509654 0.98 KMT2A (0.77) KMT2ANR4A2PLA2G4BAKR1C3PRSS1
SCHEMBL30167982 0.96 KMT2A (0.80) KMT2ANR4A2PLA2G4BAKR1C3PRSS1
SCHEMBL10787479 0.96 KMT2A (0.80) KMT2ANR4A2PLA2G4BAKR1C3PRSS1
SCHEMBL9402647 0.94 KMT2A (0.73) KMT2ANR4A2PLA2G4BAKR1C3PRSS1
SCHEMBL9337589 0.93 KMT2A (0.71) KMT2ANR4A2PLA2G4BAKR1C3PRSS1
SCHEMBL6932542 0.92 KMT2A (0.75) KMT2ANR4A2PLA2G4BAKR1C3PRSS1
SCHEMBL4653545 0.91 KMT2A (0.69) KMT2ANR4A2PLA2G4BAKR1C3PRSS1
SCHEMBL14384068 0.91 KMT2A (0.69) KMT2ANR4A2PLA2G4BAKR1C3PRSS1
SCHEMBL8733167 0.91 KMT2A (0.69) KMT2ANR4A2PLA2G4BAKR1C3PRSS1
SCHEMBL4799598 0.91 KMT2A (0.69) KMT2ANR4A2PLA2G4BAKR1C3PRSS1

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-5068308-A Multistage polycondensation of aromatic compounds and separation of product from fatty acid BASF AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed