SCHEMBL21367971

SCHEMBL21367971

C=CC(=O)NC(C(=O)OC)C(C)CC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.53
NOS1 P29475 5/20 0.53
NOS2 P35228 5/20 0.53
TSHR P16473 1/20 0.47
POLB P06746 2/20 0.45
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
KDM4E B2RXH2 1/20 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
SCHEMBL21368002 0.88 TSHR (0.46) NOS3NOS1NOS2TSHRPOLB
SCHEMBL21367999 0.87 TSHR (0.44) NOS3NOS1NOS2TSHRPOLB
SCHEMBL21368000 0.84 CTSS (0.44) NOS3NOS1NOS2TSHRPOLB
SCHEMBL8176609 0.82 ALDH1A1 (0.58) TSHRALDH1A1
SCHEMBL8176613 0.82 ALDH1A1 (0.58) TSHRALDH1A1
SCHEMBL20906634 0.82 TSHR (0.54) TSHRALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL20906631 0.82 TSHR (0.54) TSHRALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL29820591 0.79 NOS3 (0.50) NOS3NOS1NOS2POLBALDH1A1
SCHEMBL5810975 0.78 POLB (0.49) NOS3NOS1NOS2POLBALDH1A1
SCHEMBL5810979 0.78 POLB (0.49) NOS3NOS1NOS2POLBALDH1A1

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