SCHEMBL9680338

SCHEMBL9680338

CCOC(=O)CCCCCCCCCCCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 4/20 0.50
HTT P42858 2/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
AGTR1 P30556 1/20 0.50
GLO1 Q04760 1/20 0.48
LMNA P02545 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47

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
SCHEMBL6989418 0.95 MAPT (0.54) KMT2AALDH1A1TDP1MAPK1MAPT
SCHEMBL1205584 0.90 KMT2A (0.60) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL9695872 0.88 KMT2A (0.57) KMT2AALDH1A1MEN1HTTAGTR1
SCHEMBL1108437 0.83 KMT2A (0.60) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL27869674 0.83 ALDH1A1 (0.56) KMT2AALDH1A1TDP1MAPK1MAPT
SCHEMBL29179991 0.82 KMT2A (0.52) KMT2AALDH1A1MAPK1MAPTKDM4E
SCHEMBL13332170 0.82 MAPT (0.57) KMT2AALDH1A1TDP1MAPK1MAPT
SCHEMBL6696570 0.81 CHRNB2 (0.54) KMT2AALDH1A1TDP1MAPK1MAPT
SCHEMBL765019 0.81 PPARA (0.56) KMT2ATDP1PPARGPPARACYP4F2
SCHEMBL12329630 0.81 PPARA (0.56) KMT2ATDP1PPARGPPARACYP4F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5087721-A Tumor-specific; for diagnosis and therapy THE UNIVERSITY OF MICHIGAN (US) 1992-02-11 US disclosed
US-4965391-A Tumor specific THE UNIVERSITY OF MICHIGAN (US) 1990-10-23 US disclosed