SCHEMBL21758050

SCHEMBL21758050

O=C1OCOCc2ccc(-c3ccc4c(c3)C(=O)OC4=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 5/20 0.38
PTPRC P08575 1/20 0.36
MAOA P21397 8/20 0.36
MAOB P27338 7/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TDP2 O95551 1/20 0.35
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAP3K5 Q99683 1/20 0.33

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
SCHEMBL23452986 0.91 PRF1 (0.48) PRF1ALDH1A1LMNAGAAMAPT
SCHEMBL22300002 0.87 PRF1 (0.49) PRF1MAOAMAOBALDH1A1LMNA
SCHEMBL22876008 0.84 MAOA (0.44) MAOAMAOB
SCHEMBL22663886 0.80 MAOA (0.38) PRF1MAOAMAOBALDH1A1LMNA
SCHEMBL19966686 0.78 PRF1 (0.61) PRF1MAOAMAOBALDH1A1LMNA
SCHEMBL20881331 0.78 CYP3A4 (0.38) PRF1MAOAMAOBALDH1A1LMNA
SCHEMBL18457825 0.78 GFER (0.47) PRF1MAOAMAOBALDH1A1LMNA
SCHEMBL19607528 0.76 PRF1 (0.59) PRF1MAOAMAOBALDH1A1LMNA
SCHEMBL169305 0.76 ALOX15 (0.57) PTPRCMAOAMAOBALDH1A1LMNA
SCHEMBL741462 0.76 ALOX15 (0.57) PTPRCMAOAMAOBALDH1A1LMNA

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-2020040091-A1 LIQUID CRYSTAL ALIGNMENT AGENT, PRODUCTION METHOD THEREOF, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2020-02-27 WO disclosed