SCHEMBL18155539

SCHEMBL18155539

CCCCC(CC)CNC(C)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
CA2 P00918 3/20 0.42
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR84 Q9NQS5 4/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5468966 0.82 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4CA2KDM4E
SCHEMBL6034543 0.79 TSHR (0.52) TSHRALDH1A1CYP3A4CA2KDM4E
SCHEMBL6034547 0.79 TSHR (0.52) TSHRALDH1A1CYP3A4CA2KDM4E
SCHEMBL27733107 0.79 CA2 (0.38) TSHRALDH1A1CYP3A4CA2KDM4E
SCHEMBL172603 0.78 ALDH1A1 (0.59) TSHRALDH1A1CYP3A4CA2KDM4E
SCHEMBL9176596 0.78 ALDH1A1 (0.54) TSHRALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL140442 0.78 ALDH1A1 (0.54) TSHRALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL4440711 0.78 ALDH1A1 (0.54) TSHRALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL5256983 0.77 TSHR (0.64) TSHRALDH1A1CYP3A4CA2KDM4E
SCHEMBL10617533 0.76 ALDH1A1 (0.52) TSHRALDH1A1CYP3A4CA2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10907064-B2 Aqueous resin based inkjet inks AGFA NV (BE) 2021-02-02 US disclosed
US-10478795-B2 Self-dispersing capsules AGFA NV (BE) 2019-11-19 US disclosed
EP-3081288-B1 SELF-DISPERSING CAPSULES AGFA NV (BE) 2019-07-24 EP disclosed
US-20180094154-A1 AQUEOUS RESIN BASED INKJET INKS AGFA NV (BE) 2018-04-05 US disclosed
US-20180085725-A1 SELF-DISPERSING CAPSULES AGFA NV (BE) 2018-03-29 US disclosed
EP-3081607-B1 AQUEOUS RESIN BASED INKJET INKS AGFA NV (BE) 2017-12-27 EP disclosed
WO-2016165970-A1 AQUEOUS RESIN BASED INKJET INKS AGFA GRAPHICS NV (BE) 2016-10-20 WO disclosed
WO-2016165956-A1 SELF-DISPERSING CAPSULES AGFA GRAPHICS NV (BE) 2016-10-20 WO disclosed
EP-3081288-A1 SELF-DISPERSING CAPSULES AGFA GRAPHICS NV (BE) 2016-10-19 EP disclosed
EP-3081607-A1 AQUEOUS RESIN BASED INKJET INKS AGFA GRAPHICS NV (BE) 2016-10-19 EP disclosed