SCHEMBL21425138

SCHEMBL21425138

Cc1ccc(OC(O)c2ccc(C3CCC(C)CC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.46
▸ SLC18A3 Q16572 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ LIPE Q05469 1/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL21425139 0.96 ESR2 (0.43) ESR2SLC18A3MEN1KMT2AALDH1A1
SCHEMBL18635923 0.94 ESR2 (0.51) ESR2MEN1KMT2AALDH1A1MAPT
SCHEMBL20758751 0.82 ESR2 (0.40) ESR2ALDH1A1MAPTTDP1SLC6A2
SCHEMBL23158850 0.79 ESR2 (0.42) ESR2SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL14231502 0.78 ESR2 (0.53) ESR2SLC18A3MEN1KMT2AALDH1A1
SCHEMBL17231858 0.78 ESR2 (0.50) ESR2SLC18A3MEN1KMT2AALDH1A1
SCHEMBL19937427 0.78 ESR2 (0.65) ESR2SLC18A3ALDH1A1MAPTTDP1
SCHEMBL24597681 0.78 ESR2 (0.65) ESR2SLC18A3ALDH1A1MAPTTDP1
SCHEMBL18636444 0.76 KMT2A (0.40) ESR2MEN1KMT2AALDH1A1MAPT
SCHEMBL14924284 0.73 ESR2 (0.52) ESR2MEN1KMT2AALDH1A1HRH3

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-2019189632-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2019-10-03 — — WO disclosed
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