SCHEMBL7821031

SCHEMBL7821031

COCOC(=O)CCCCCCc1ccc2ccccc2c1N.O=C(O)CCCCCCc1ccc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CASP6 P55212 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 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
SCHEMBL7832666 0.86 CYP4F2 (0.46) MAPTSMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL7820610 0.83 CYP1A2 (0.50) TDP1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL7833002 0.74 TRPV1 (0.44) TDP1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL7833268 0.72 HDAC1 (0.51)
SCHEMBL31146864 0.71 TSHR (0.53) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL28675256 0.71 TSHR (0.53) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL28965419 0.71 TSHR (0.53) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL28692968 0.71 TSHR (0.53) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7057071 0.69 NCEH1 (0.50) MAPTKDM4EATMNCEH1ALDH1A1
SCHEMBL5997308 0.69 CYP1A2 (0.53) TDP1SMN1; SMN2KDM4ECYP1A2CYP2D6

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
EP-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed