SCHEMBL24372204

SCHEMBL24372204

CCCC1(CC2(CCC(=O)Oc3ccccc3)c3cc(C)ccc3-c3nc4ccccc4cc32)c2cc(C)ccc2-c2nc3ccccc3cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.35
▸ ALDH1A1 P00352 6/20 0.33
▸ MAPT P10636 6/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ GAA P10253 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ CYSLTR2 Q9NS75 1/20 0.32
▸ CYSLTR1 Q9Y271 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ GRM2 Q14416 1/20 0.31

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
SCHEMBL24350131 0.96 PTGS1 (0.37) PTGS1ALDH1A1MAPTKDM4ERAB9A
SCHEMBL24372201 0.91 KDM4E (0.35) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL24372239 0.87 NPC1 (0.36) PTGS1ALDH1A1MAPTKDM4ERAB9A
SCHEMBL24350136 0.87 KMT2A (0.37) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL24349551 0.86 KMT2A (0.40) PTGS1ALDH1A1MAPTKDM4ERAB9A
SCHEMBL24350141 0.86 ACHE (0.34) PTGS1ALDH1A1MAPTKDM4ERAB9A
SCHEMBL24372202 0.86 KMT2A (0.32) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL24349783 0.85 KMT2A (0.41) PTGS1ALDH1A1MAPTKDM4ERAB9A
SCHEMBL24349786 0.85 KMT2A (0.41) PTGS1ALDH1A1MAPTKDM4ERAB9A
SCHEMBL24349294 0.82 APEX1 (0.44) PTGS1ALDH1A1MAPTKDM4ERAB9A

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-3988599-A1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND Mitsubishi Chemical Corporation (JP) 2022-04-27 — — EP disclosed
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