SCHEMBL5799734

SCHEMBL5799734

C=C(C(=O)O)C(C)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
KCNA5 P22460 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4632498 0.83 AAK1 (0.39) ALDH1A1CYP3A4TSHRCYP2C19MAPK1
SCHEMBL5712749 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL11037759 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3718043 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRCYP2C19MAPK1
SCHEMBL715038 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRCYP2C19MAPK1
SCHEMBL8902371 0.79 SMN1; SMN2 (0.42) ALDH1A1CYP3A4TSHRCYP2C19MAPK1
SCHEMBL3714585 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRCYP2C19MAPK1
Hydrochloric Acid SCHEMBL25405355 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRCYP2C19MAPK1
Hydrochloric Acid SCHEMBL18812867 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRCYP2C19MAPK1
SCHEMBL29050602 0.78 SMN1; SMN2 (0.41) ALDH1A1CYP3A4TSHRCYP2C19MAPK1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1288863-A None JP disclosed
WO-2024081115-A1 PHOTOCURABLE COMPOSITIONS FOR THREE-DIMENSIONAL INVESTMENT PATTERN CASTING AND USE THEREOF HENKEL AG & CO., KGAA (DE) 2024-04-18 WO disclosed
WO-2023099400-A1 RADIATION CURABLE INKJET INKS AGFA-GEVAERT NV (BE) 2023-06-08 WO disclosed
EP-3887454-A1 JETTABLE COMPOSITION Electra Polymer Ltd. (GB) 2021-10-06 EP disclosed
EP-3887461-A1 NOVEL PHOTOINITIATORS Agfa-Gevaert N.V. (BE) 2021-10-06 EP disclosed
WO-2020109132-A1 RADIATION CURABLE INKJET INK FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT NV (BE) 2020-06-04 WO disclosed
WO-2020109148-A1 NOVEL PHOTOINITIATORS AGFA-GEVAERT NV (BE) 2020-06-04 WO disclosed
WO-2020109769-A1 JETTABLE COMPOSITION ELECTRA POLYMERS LTD (GB) 2020-06-04 WO disclosed
WO-2020064633-A1 LASER MARKABLE COMPOSITIONS AGFA NV (BE) 2020-04-02 WO disclosed
EP-3538617-A1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS Agfa-Gevaert N.V. (BE) 2019-09-18 EP disclosed
CN-107429093-A Water-base resin based ink jet inks 爱克发印艺公司 2017-12-01 CN disclosed
CN-104302714-B The ink jet printing of wood color 爱克发印艺公司 2017-06-13 CN disclosed
CN-106457862-A UV curable inkjet inks 爱克发印艺公司 2017-02-22 CN disclosed
CN-106459633-A Aqueous resin-based inkjet ink 爱克发印艺公司 2017-02-22 CN disclosed
WO-2006054888-A2 CURABLE LIQUID COMPOSITION, CURED FILM, AND ANTISTATIC LAMINATE JSR CORPORATION (JP) 2006-05-26 WO disclosed
WO-2002055447-A2 URETHANE-ACRYLIC COATINGS FOR OPTICAL FIBER DSM N.V. (NL) 2002-07-18 WO disclosed
JP-H01288863-A RESIN FOR TONER BINDER, TONER FOR DEVELOPING ELECTROSTATIC CHARGE IMAGE, ELECTROSTATIC CHARGE IMAGE DEVELOPER AND IMAGE FORMING METHOD HITACHI CHEM CO LTD 1989-11-21 JP disclosed
US-4308120-A FREE-RADICAL POLYMERIZATION IN PRESENCE OF ULTRAVIOLET ABSORBER ROHM GMBH (DE) 1981-12-29 US disclosed
US-4105519-A POLYMERIZATION METHOD USING ULTRAVIOLET LIGHT ROHM GMBH (DE) 1978-08-08 US disclosed
US-4071653-A Powdery copolymer comprising methyl methacrylate and monomer having a basic nitrogen atom ROHM GMBH (DT) 1978-01-31 US disclosed