SCHEMBL9701980

SCHEMBL9701980

C=C(C)C(=O)OCCCOc1cc([N+](=O)[O-])ccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.56
CYP11B1 P15538 6/20 0.56
CYP11B2 P19099 6/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.49
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 3/20 0.42
CYP2D6 P10635 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL8627499 0.97 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2PTGDR2MAPT
SCHEMBL9701978 0.87 PTGDR2 (0.43) CYP19A1CYP11B1CYP11B2PTGDR2MAPT
SCHEMBL9838635 0.84 CYP19A1 (0.43) CYP19A1CYP11B1CYP11B2PTGDR2MAPT
SCHEMBL9332121 0.83 POLB (0.44) CYP19A1CYP11B1CYP11B2PTGDR2MAPT
SCHEMBL29315511 0.81 KDM4E (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL25123541 0.78 KDM4E (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL29315515 0.78 KDM4E (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10336029 0.77 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2PTGDR2MAPT
SCHEMBL10336076 0.77 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2PTGDR2MAPT
SCHEMBL9257235 0.77 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2PTGDR2MAPT

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