SCHEMBL8034781

SCHEMBL8034781

CCOCCCNC(=O)NC(=O)c1c(C(F)(F)F)cc(O)c(O)c1[N+](=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.36
HTT P42858 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.35
TSHR P16473 3/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
ADRB2 P07550 3/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8037533 0.88 EPHX2 (0.40) HPGDALDH1A1
SCHEMBL8041408 0.85 SMN1; SMN2 (0.32) HPGDHTTSMN1; SMN2NPC1POLB
SCHEMBL8037015 0.81 ALDH1A1 (0.45) HPGDHTTRAB9ASMN1; SMN2NPC1
SCHEMBL8041445 0.78 EPHX2 (0.41)
SCHEMBL8035781 0.78 EPHX2 (0.41)
SCHEMBL8023142 0.75 ALDH1A1 (0.39) HPGDSMN1; SMN2NPC1POLBKMT2A
SCHEMBL8035725 0.73 KDM4E (0.43) HPGDHTTRAB9ASMN1; SMN2NPC1
SCHEMBL8034312 0.70 TBXA2R (0.38)
SCHEMBL8038463 0.69 EPHX2 (0.39)
SCHEMBL8036201 0.69 EPHX2 (0.39)

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-2009081892-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 WO disclosed