SCHEMBL9701978

SCHEMBL9701978

C=C(C)C(=O)OCCCOc1ccccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
CYP19A1 P11511 4/20 0.43
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL9332121 0.97 POLB (0.44) PTGDR2CYP19A1CYP11B1CYP11B2KMT2A
SCHEMBL9701980 0.87 CYP19A1 (0.56) PTGDR2CYP19A1CYP11B1CYP11B2KMT2A
SCHEMBL29315511 0.85 KDM4E (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8627499 0.84 CYP19A1 (0.55) PTGDR2CYP19A1CYP11B1CYP11B2KMT2A
SCHEMBL25123541 0.82 KDM4E (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315515 0.82 KDM4E (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7524394 0.79 KDM4E (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29550232 0.79 KDM4E (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9332678 0.79 POLB (0.61) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL8631711 0.77 POLB (0.47) PTGDR2KMT2AMEN1ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155793-A OPTICAL COMPONENT FOR APPLICATIONS IN INTEGRATED OPTICS THOMSON-CSF (FR) 1992-10-13 US disclosed