SCHEMBL5010893

SCHEMBL5010893

CC(=O)C1C[C@H](c2ccccc2)O[C@@H]1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 7/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.38
HTR1E P28566 1/20 0.38
S1PR3 Q99500 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL14173019 1.00 EPHX1 (0.46) EPHX1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL5010892 1.00 EPHX1 (0.46) EPHX1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL10002218 0.91 EPHX1 (0.45) EPHX1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL598758 0.91 EPHX1 (0.45) EPHX1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL5011558 0.86 HDAC4 (0.41) EPHX1ALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL14173018 0.86 HDAC4 (0.41) EPHX1ALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL5011562 0.86 HDAC4 (0.41) EPHX1ALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL5011512 0.86 CES2 (0.46) EPHX1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL5011510 0.86 CES2 (0.46) EPHX1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL14173017 0.86 CES2 (0.46) EPHX1ALDH1A1MAPTSMN1; SMN2HPGD

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-7388101-B1 Tetrahydrofuran derivatives having cis substituent, their intermediates, and their preparation method KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-06-17 US disclosed