SCHEMBL5607925

SCHEMBL5607925

C=CCNC=C(C)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
FAAH O00519 1/20 0.31
KMT2A Q03164 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
SCHEMBL9058790 0.83 ALDH1A1 (0.43) ALDH1A1LMNATSHRSMN1; SMN2MAPT
SCHEMBL368699 0.83 MAPT (0.35) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL821284 0.79 TSHR (0.34) ALDH1A1LMNATSHRSMN1; SMN2MAPT
SCHEMBL561780 0.79 TSHR (0.34) ALDH1A1LMNATSHRSMN1; SMN2MAPT
SCHEMBL21802487 0.78 HTT (0.34)
SCHEMBL27410262 0.78 TSHR (0.39) ALDH1A1TSHR
SCHEMBL11963780 0.78 TSHR (0.35) ALDH1A1TSHRSMN1; SMN2MAPTKDM4E
SCHEMBL589664 0.78 TSHR (0.35) ALDH1A1TSHRSMN1; SMN2MAPTKDM4E
SCHEMBL12006818 0.74 TSHR (0.31) TSHRSMN1; SMN2MAPTFAAH
SCHEMBL22818510 0.74 ALDH1A1 (0.30) ALDH1A1TSHR

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
JP-2007230967-A METHOD FOR PRODUCTION OF ALKYLAMINO PROPRIONIC AMIDE DERIVATIVE KOHJIN CO LTD 2007-09-13 JP disclosed