SCHEMBL11799366

SCHEMBL11799366

CCCCc1ccc(C(O)C(CC)[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
KCNH2 Q12809 1/20 0.41
CA2 P00918 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
STING1 Q86WV6 1/20 0.40
ASAH2 Q9NR71 1/20 0.39
CA1 P00915 1/20 0.39
RARB P10826 1/20 0.39
PLK1 P53350 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL11799843 0.81 FAAH (0.51) RARB
SCHEMBL9530412 0.80 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10THRATHRB
SCHEMBL10393558 0.80 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2ASAH2NPC1
SCHEMBL11795337 0.80 GAA (0.43) ALDH1A1HPGDHSD17B10SMN1; SMN2ASAH2
SCHEMBL11687144 0.79 ASAH2 (0.39) ALDH1A1KCNH2SMN1; SMN2ASAH2
SCHEMBL11749217 0.78 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10SMN1; SMN2NPC1
SCHEMBL10393559 0.78 LMNA (0.47) ALDH1A1HSD17B10NPC1
SCHEMBL11795834 0.76 PTGS2 (0.40) KCNH2NPC1RAB9A
SCHEMBL15676131 0.76 KMT2A (0.49) ALDH1A1HPGD
SCHEMBL8954394 0.76 SLC6A4 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9A

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