SCHEMBL21312289

SCHEMBL21312289

C=CC(=O)OCCOCCOCCOCCOCCOCCOC(=O)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ TSHR P16473 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.48
▸ THRB P10828 2/20 0.48
▸ CDC25B P30305 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ CDC25A P30304 1/20 0.44
▸ CDC25C P30307 1/20 0.44
▸ ADRB2 P07550 2/20 0.43
▸ ADRB1 P08588 2/20 0.43
▸ ADRB3 P13945 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 2/20 0.42

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
SCHEMBL21312161 1.00 ALDH1A1 (0.51) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL21312091 1.00 ALDH1A1 (0.51) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL9301192 0.96 THRB (0.51) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL21312112 0.92 HRH3 (0.52) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL21312378 0.92 HRH3 (0.52) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL21312674 0.90 HRH3 (0.55) ALDH1A1TSHRTP53HRH3THRB
SCHEMBL9466853 0.87 TSHR (0.63) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL786986 0.84 CDC25B (0.61) ALDH1A1TSHRHRH3CDC25BPOLB
SCHEMBL21312110 0.83 HRH3 (0.52) ALDH1A1TSHRHRH3CDC25BPOLB
SCHEMBL21312087 0.83 HRH3 (0.52) ALDH1A1TSHRHRH3CDC25BPOLB

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
Send feedback