SCHEMBL22474830

SCHEMBL22474830

CCOC(=O)c1ccc(NC2CCCCC2)c(NCc2ccc(N)cc2)c1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 4/20 0.81
▸ PTGER4 P35408 2/20 0.49
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.42
▸ CASP3 P42574 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL15320847 0.94 ALOX15 (0.88) ALOX15PTGER4LMNABRD4MEN1
SCHEMBL15321088 0.92 ALOX15 (0.84) ALOX15PTGER4LMNABRD4MEN1
SCHEMBL15320804 0.91 ALOX15 (0.83) ALOX15PTGER4BRD4MEN1POLB
SCHEMBL15320668 0.90 ALOX15 (0.81) ALOX15PTGER4BRD4MEN1POLB
SCHEMBL15320822 0.90 ALOX15 (0.81) ALOX15PTGER4BRD4MEN1POLB
SCHEMBL15320767 0.90 ALOX15 (0.81) ALOX15PTGER4BRD4MEN1POLB
SCHEMBL15320680 0.90 ALOX15 (1.00) ALOX15PTGER4LMNACYP1A2BRD4
SCHEMBL15319696 0.89 ALOX15 (0.80) ALOX15PTGER4BRD4MEN1KMT2A
SCHEMBL19239515 0.88 ALOX15 (0.78) ALOX15PTGER4BRD4MEN1POLB
SCHEMBL15320283 0.88 ALOX15 (0.81) ALOX15PTGER4CYP3A4BRD4MEN1

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
EP-3384908-B1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS UNIV COLUMBIA (US) 2020-09-30 — — EP disclosed
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