SCHEMBL30605779

SCHEMBL30605779

O=C(/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1)OCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
MAOB P27338 2/20 0.41
MAPT P10636 7/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 3/20 0.40
RECQL P46063 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA4 P22748 2/20 0.39
CA9 Q16790 2/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL20489104 1.00 ALDH1A1 (0.42) ALDH1A1TDP1KDM4ETP53MAOB
SCHEMBL679941 0.94 ALDH1A1 (0.41) ALDH1A1TDP1KDM4ETP53MAOB
SCHEMBL28586204 0.91 MAPT (0.38) ALDH1A1TDP1KDM4ETP53MAOB
SCHEMBL14151685 0.89 ALDH1A1 (0.40) ALDH1A1TDP1KDM4ETP53MAPT
SCHEMBL14151687 0.89 ALDH1A1 (0.40) ALDH1A1TDP1KDM4ETP53MAPT
SCHEMBL14854039 0.88 ALDH1A1 (0.42) ALDH1A1TDP1KDM4ETP53MAOB
SCHEMBL14843814 0.87 ALDH1A1 (0.41) ALDH1A1TDP1KDM4ETP53MAOB
SCHEMBL14843812 0.87 ALDH1A1 (0.41) ALDH1A1TDP1KDM4ETP53MAOB
SCHEMBL28622371 0.87 MAOB (0.41) ALDH1A1TDP1KDM4ETP53MAOB
SCHEMBL679346 0.86 MAOB (0.41) ALDH1A1KDM4ETP53MAOBMAPT

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
EP-4634327-A1 COMPOSITION FOR FORMING A LIQUID CRYSTAL ALIGNMENT FILM Rolic Technologies AG (CH) 2025-10-22 EP disclosed
EP-4493638-A1 PHOTOALIGNING MATERIALS Rolic Technologies AG (CH) 2025-01-22 EP disclosed
WO-2024125945-A1 COMPOSITION FOR FORMING A LIQUID CRYSTAL ALIGNMENT FILM Rolic Technologies AG (CH) 2024-06-20 WO disclosed
WO-2023174773-A1 PHOTOALIGNING MATERIALS Rolic Technologies AG (CH) 2023-09-21 WO disclosed