SCHEMBL8819643

SCHEMBL8819643

C=C(C)CN(C)CC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL13407442 0.84 LMNA (0.37) CYP2C19TDP1CYP1A2LMNAALOX15
SCHEMBL2141699 0.82 CYP2C19 (0.53) CYP2C19TDP1CYP1A2
Hydrochloric Acid SCHEMBL10395968 0.79 CYP2C19 (0.50) CYP2C19TDP1CYP1A2EGFR
Bromide SCHEMBL11799522 0.79 CYP2C19 (0.50) CYP2C19TDP1CYP1A2
SCHEMBL14302068 0.78 CYP2C19 (0.40) CYP2C19TDP1CYP1A2LMNAALOX15
SCHEMBL29957047 0.75 BHMT (0.39) CYP2C19TDP1CYP1A2LMNAALOX15
SCHEMBL9547323 0.75
SCHEMBL19767014 0.74
SCHEMBL138662 0.73
SCHEMBL25551254 0.73 CYP2C19 (0.36) CYP2C19TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210156849-A1 ANALYTICAL METHOD, REAGENT KIT AND ANALYTIC DEVICE CANON MEDICAL SYSTEMS CORPORATION (JP) 2021-05-27 US disclosed
EP-2711747-A1 INFRARED SHIELDING FILM, METHOD FOR PRODUCING INFRARED SHIELDING FILM, AND INFRARED SHIELD Konica Minolta, Inc. (JP) 2014-03-26 EP disclosed
WO-1997040078-A1 THERMOREVERSIBLE HYDROGELS COMPRISING NON-CROSSLINKED COPOLYMERS AND THEIR USE IN ELECTROPHORESIS SOANE BIOSCIENCES (US) 1997-10-30 WO disclosed