SCHEMBL21368435

SCHEMBL21368435

C=CC(=O)NC(CC(C)C)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.46
TSHR P16473 2/20 0.46
TAS1R3 Q7RTX0 5/20 0.43
TAS1R1 Q7RTX1 5/20 0.43
NOS3 P29474 5/20 0.41
NOS1 P29475 5/20 0.41
NOS2 P35228 5/20 0.41
BIRC2 Q13490 1/20 0.38
CAD P27708 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACACB O00763 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
SCHEMBL29820642 0.86 TAS1R3 (0.55) TSHRTAS1R3TAS1R1NOS3NOS1
SCHEMBL21367972 0.86 TAS1R3 (0.55) TSHRTAS1R3TAS1R1NOS3NOS1
SCHEMBL21368260 0.84 TSHR (0.45) TSHRCADL3MBTL1ACACB
SCHEMBL12231521 0.84 TSHR (0.43) PPIDTSHRTAS1R3TAS1R1NOS3
SCHEMBL21368436 0.83 TSHR (0.46) TSHRTAS1R3TAS1R1NOS3NOS1
SCHEMBL6250485 0.81 NPSR1 (0.48) TSHRTAS1R3TAS1R1NOS3NOS1
SCHEMBL25498261 0.81 TAS1R3 (0.48) PPIDTAS1R3TAS1R1NOS3NOS1
SCHEMBL31389135 0.81 TAS1R3 (0.48) PPIDTAS1R3TAS1R1NOS3NOS1
SCHEMBL21368437 0.81 NPSR1 (0.48) TSHRTAS1R3TAS1R1NOS3NOS1
SCHEMBL30393759 0.81 TAS1R3 (0.48) PPIDTAS1R3TAS1R1NOS3NOS1

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-10822507-B2 Curable composition, curable ink, composition stored container, image forming apparatus, image forming method, cured product, and decorated body RICOH COMPANY, LTD. (JP) 2020-11-03 US disclosed
US-20190284408-A1 CURABLE COMPOSITION, CURABLE INK, COMPOSITION STORED CONTAINER, IMAGE FORMING APPARATUS, IMAGE FORMING METHOD, CURED PRODUCT, AND DECORATED BODY RICOH COMPANY, LTD. (JP) 2019-09-19 US disclosed