SCHEMBL8944400

SCHEMBL8944400

CCCCOc1cc([N+](=O)[O-])c(OCCCC)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.50
MAPT P10636 7/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 2/20 0.46
ALPG P10696 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
CYP1A2 P05177 1/20 0.43

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
SCHEMBL8888172 0.94 THRB (0.49) S1PR4MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL12161009 0.91 S1PR4 (0.47) S1PR4MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6814794 0.87 MAPT (0.52) S1PR4MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8887345 0.85 LMNA (0.49) S1PR4MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL13938553 0.84 LMNA (0.47) S1PR4MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL13334917 0.84 MAPT (0.44) S1PR4MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL26930475 0.84 MAPT (0.56) S1PR4MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL13334920 0.84 S1PR4 (0.44) S1PR4MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL28091947 0.83 MAPT (0.48) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10940683 0.81 MAPT (0.52) MAPTALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041270-A1 SMALL MOLECULE DRUGS THAT REDUCE PROTEIN AGGREGATION BIOVENTURES LLC (US) 2025-02-06 US disclosed
EP-4448567-A2 SMALL MOLECULE DRUGS THAT REDUCE PROTEIN AGGREGATION BioVentures, LLC (US) 2024-10-23 EP disclosed
WO-2023114772-A2 SMALL MOLECULE DRUGS THAT REDUCE PROTEIN AGGREGATION BIOVENTURES, LLC (US) 2023-06-22 WO disclosed
US-5486446-A Multi-color heat-sensitive recording material utilizing multiple diazonium salt layers FUJI PHOTO FILM CO., LTD. (JP) 1996-01-23 US disclosed