SCHEMBL11795337

SCHEMBL11795337

CCC(C(O)c1ccc(C)cc1)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 8/20 0.38
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPK1 P28482 1/20 0.36
AGTR1 P30556 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.35
MARS2 Q96GW9 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
SCHEMBL10393558 0.86 ALDH1A1 (0.53) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL11749217 0.85 ALDH1A1 (0.41) GAAHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL10393559 0.84 LMNA (0.47) HSD17B10KMT2AMEN1ALDH1A1LMNA
SCHEMBL8954394 0.82 SLC6A4 (0.45) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL15676130 0.82 KMT2A (0.49) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL11745586 0.82 ALDH1A1 (0.40) GAAHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL15676131 0.82 KMT2A (0.49) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL11799843 0.81 FAAH (0.51) LMNATSHR
SCHEMBL11799366 0.80 ALDH1A1 (0.41) HSD17B10ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL11792969 0.77 ACHE (0.40) GAAACHEHSD17B10KMT2AMEN1

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-3995063-A BIODEGRADABLE MOBIL OIL CORPORATION (US) 1976-11-30 US disclosed