SCHEMBL7597236

SCHEMBL7597236

C=CCNC(C)(CC(=O)O)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7600761 0.74 KMT2A (0.33) TSHR
SCHEMBL438355 0.69 TSHR (0.39) TSHRPKMKDM4E
SCHEMBL6170683 0.69 TSHR (0.35) CYP2D6TSHRCYP2C19HIF1APKM
SCHEMBL2850386 0.67 TSHR (0.37) TSHRKDM4E
Water SCHEMBL10920606 0.67 TSHR (0.34) CYP2D6TSHRCYP2C19HIF1AKDM4E
SCHEMBL28098746 0.66 TSHR (0.33) TSHRCYP2C19
SCHEMBL11501156 0.66 FAAH (0.33)
SCHEMBL8593888 0.65 TSHR (0.35) TSHRPKM
SCHEMBL11663791 0.64 MAPK1 (0.36) TSHR
SCHEMBL9660687 0.64 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0878715-B1 Cyanide-containing hemoglobin reagent composition and method providing acceptable precision, accuracy and freedom from white cell interference on automated hematology analyzers BAYER AG (US) 2002-07-31 EP claimed