SCHEMBL21312378

SCHEMBL21312378

C=CC(=O)OCCCOCCCOC(=O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.52
▸ DRD3 P35462 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.46
▸ CDC25B P30305 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ CDC25A P30304 1/20 0.42
▸ CDC25C P30307 1/20 0.42
▸ TSHR P16473 6/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ADRB2 P07550 2/20 0.42
▸ ADRB1 P08588 2/20 0.42
▸ ADRB3 P13945 2/20 0.42
▸ TP53 P04637 3/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41

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
SCHEMBL21312112 1.00 HRH3 (0.52) HRH3DRD3TDP1CDC25BPOLB
SCHEMBL21312674 0.96 HRH3 (0.55) HRH3DRD3TDP1CDC25BPOLB
SCHEMBL21312161 0.92 ALDH1A1 (0.51) HRH3DRD3CDC25BPOLBGAA
SCHEMBL21312091 0.92 ALDH1A1 (0.51) HRH3DRD3CDC25BPOLBGAA
SCHEMBL21312289 0.92 ALDH1A1 (0.51) HRH3DRD3CDC25BPOLBGAA
SCHEMBL9301192 0.91 THRB (0.51) HRH3DRD3CDC25BPOLBGAA
SCHEMBL27540941 0.85 HRH3 (0.66) HRH3DRD3TDP1CDC25BPOLB
SCHEMBL21312290 0.84 HRH3 (0.56) HRH3DRD3TDP1CDC25BPOLB
SCHEMBL21312090 0.84 HRH3 (0.56) HRH3DRD3TDP1CDC25BPOLB
SCHEMBL1110904 0.83 TSHR (0.59) TDP1POLBALDH1A1KDM4ETHRB

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-10633549-B2 Ink, ink accommodating container, image forming method, and image forming device RICOH COMPANY, LTD. (JP) 2020-04-28 — — US disclosed
US-20190264050-A1 INK, INK ACCOMMODATING CONTAINER, IMAGE FORMING METHOD, AND IMAGE FORMING DEVICE RICOH COMPANY, LTD. (JP) 2019-08-29 — — US disclosed
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