SCHEMBL10557006

SCHEMBL10557006

CCCCC(CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)C(C(=O)OC)S(=O)(=O)c4ccccc4)cc3OC)c2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
NR1H4 Q96RI1 2/20 0.49
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NOX1 Q9Y5S8 1/20 0.37
LMNA P02545 1/20 0.36
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35

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
SCHEMBL8998402 0.89 EPHX2 (0.48) EPHX2NR1H4MEN1ALDH1A1MAPT
SCHEMBL8998285 0.88 EPHX2 (0.44) EPHX2NR1H4CYSLTR2CYSLTR1NOX1
SCHEMBL9479093 0.87 EPHX2 (0.53) EPHX2NR1H4CYSLTR2CYSLTR1
SCHEMBL8998208 0.87 EPHX2 (0.51) EPHX2NR1H4MEN1ALDH1A1MAPT
SCHEMBL8998273 0.85 EPHX2 (0.66) EPHX2NR1H4MEN1ALDH1A1MAPT
SCHEMBL10561346 0.84 EPHX2 (0.57) EPHX2NR1H4MEN1ALDH1A1MAPT
SCHEMBL9491290 0.83 EPHX2 (0.55) EPHX2NR1H4TSHRCYSLTR2CYSLTR1
SCHEMBL10558787 0.81 CYSLTR2 (0.50) EPHX2NR1H4CYSLTR2CYSLTR1
SCHEMBL19083763 0.81 EPHX2 (0.57) EPHX2NR1H4MEN1ALDH1A1MAPT
SCHEMBL9479106 0.81 EPHX2 (0.51) EPHX2NR1H4MEN1MAPTKMT2A

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-4837235-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ICI AMERICAS INC. (US) 1989-06-06 US disclosed