SCHEMBL9838635

SCHEMBL9838635

C=C(C)C(=O)OCCCC(CC)Oc1cc([N+](=O)[O-])ccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.43
CYP11B1 P15538 6/20 0.43
CYP11B2 P19099 6/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL9701980 0.84 CYP19A1 (0.56) CYP19A1CYP11B1CYP11B2PTGDR2MEN1
SCHEMBL8627499 0.83 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2PTGDR2MEN1
SCHEMBL9701978 0.74 PTGDR2 (0.43) CYP19A1CYP11B1CYP11B2PTGDR2MEN1
SCHEMBL9332121 0.73 POLB (0.44) CYP19A1CYP11B1CYP11B2PTGDR2MEN1
SCHEMBL19458768 0.71 KDM4E (0.41) MEN1MAPTKMT2AADRA2AADRA2B
SCHEMBL8444306 0.71 KDM4E (0.49) MEN1KMT2APOLB
SCHEMBL27787420 0.69 MAPT (0.46) MEN1MAPTKMT2APOLBLMNA
SCHEMBL29315511 0.68 KDM4E (0.54) MEN1KMT2APOLB
SCHEMBL7794901 0.68 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2PTGDR2MEN1
SCHEMBL27696101 0.67 HPGD (0.48) MEN1MAPTKMT2APOLBLMNA

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
WO-1991003748-A1 ELECTRO-OPTIC WAVEGUIDE DEVICE HOECHST CELANESE CORPORATION (US) 1991-03-21 WO disclosed