SCHEMBL8957369

SCHEMBL8957369

O=C(O)c1cccc(OCCO[N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
NR4A2 P43354 4/20 0.54
KDM4E B2RXH2 1/20 0.52
PLA2G4B P0C869 1/20 0.50
NR1H4 Q96RI1 3/20 0.49
POLB P06746 1/20 0.49
TBXAS1 P24557 1/20 0.49
PKM P14618 1/20 0.49
AKR1C3 P42330 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
SCHEMBL15941603 0.94 KMT2A (0.61) KMT2ANR4A2KDM4EPLA2G4BNR1H4
SCHEMBL10787479 0.86 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL30167982 0.86 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL6932542 0.82 KMT2A (0.75) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL10999317 0.82 KMT2A (0.47) KMT2AKDM4EPOLB
SCHEMBL9803295 0.82 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL8957481 0.81 PKM (0.64) NR4A2PLA2G4BPKM
SCHEMBL19665046 0.81 KMT2A (0.73) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL4509654 0.81 KMT2A (0.77) KMT2ANR4A2PLA2G4BNR1H4AKR1C3
SCHEMBL11080434 0.80 CHRNB2 (0.51) KMT2A

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-0689435-A1 USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1996-01-03 EP claimed
WO-1994021248-A1 USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1994-09-29 WO claimed
EP-0689435-A1 USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1996-01-03 EP disclosed
WO-1994021248-A1 USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1994-09-29 WO disclosed