SCHEMBL21376945

SCHEMBL21376945

C=CC(=O)OCCCCCCOc1ccc(C(=O)Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 3/20 0.44
▸ THRB P10828 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ MMP3 P08254 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL25699829 0.92 TSHR (0.51) ALDH1A1HTTTHRBCYP3A4TSHR
SCHEMBL14562517 0.90 THRB (0.49) RAB9AALDH1A1MAPTTHRBHDAC1
SCHEMBL17771968 0.90 RAB9A (0.48) RAB9AALDH1A1MAPTHTTHDAC1
SCHEMBL13427412 0.87 THRB (0.49) RAB9AALDH1A1MAPTHTTTHRB
SCHEMBL2241855 0.87 THRB (0.56) ALDH1A1MAPTHTTTHRBCYP3A4
SCHEMBL19789608 0.86 THRB (0.44) RAB9AALDH1A1MAPTHTTTHRB
SCHEMBL21336519 0.86 RAB9A (0.51) RAB9AALDH1A1MAPTHTTTHRB
SCHEMBL8939360 0.84 HDAC1 (0.59) ALDH1A1MAPTHTTTHRBCYP3A4
SCHEMBL7590582 0.84 HDAC1 (0.59) ALDH1A1MAPTHTTTHRBCYP3A4
SCHEMBL8939366 0.84 HDAC1 (0.59) ALDH1A1MAPTHTTTHRBCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220190303-A1 ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2022-06-16 — — US disclosed
US-20190284474-A1 SWITCHING LAYER FOR USE IN AN OPTICAL SWITCHING ELEMENT MERCK PATENT GMBH (DE) 2019-09-19 — — US disclosed
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