SCHEMBL31118384

SCHEMBL31118384

CCOC(=O)COC(=O)c1cc(Oc2c(F)c(F)c(F)c(F)c2F)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 8/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ PLA2G1B P04054 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ LMNA P02545 6/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MITF O75030 2/20 0.39
▸ CCR6 P51684 2/20 0.39
▸ GALR2 O43603 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ USP10 Q14694 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL10877259 0.89 ALDH1A1 (0.42) ALDH1A1MAPTTDP1PLA2G1BATG4B
SCHEMBL10656466 0.84 KMT2A (0.42) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL11160981 0.83 TDP1 (0.48) ALDH1A1MAPTTDP1LMNAUSP10
SCHEMBL31118353 0.81 TDP1 (0.60) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL11114839 0.81 TDP1 (0.45) ALDH1A1MAPTTDP1PLA2G1BATG4B
SCHEMBL38860 0.78 MEN1 (0.68) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL31118239 0.77 MEN1 (0.55) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL8505688 0.77 KMT2A (0.45) ALDH1A1MAPTTDP1PLA2G1BATG4B
SCHEMBL10536730 0.77 MEN1 (0.67) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL8534878 0.77 MEN1 (0.66) ALDH1A1MAPTTDP1LMNASMN1; SMN2

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
WO-2024192147-A2 PROTOPORPHYRINOGEN OXIDASE INHIBITORS ENKO CHEM, INC. (US) 2024-09-19 — — WO disclosed
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