SCHEMBL8032391

SCHEMBL8032391

CC(C)CC(N)/C=C/CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
ANPEP P15144 5/20 0.36
SLC7A5 Q01650 1/20 0.34
LAP3 P28838 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33
KISS1R Q969F8 1/20 0.33
ERAP2 Q6P179 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8032393 1.00 TSHR (0.38) TSHRALDH1A1MAPK1ANPEPSLC7A5
SCHEMBL16365056 0.82 ALDH1A1 (0.35) TSHRALDH1A1MAPK1ANPEPSLC7A5
SCHEMBL38660227 0.78 TSHR (0.39) TSHRALDH1A1MAPK1ANPEPSLC7A5
SCHEMBL22079248 0.74 SLC7A5 (0.43) ALDH1A1ANPEPSLC7A5LAP3ERAP1
SCHEMBL10903550 0.74 SLC7A5 (0.39) TSHRALDH1A1MAPK1ANPEPSLC7A5
SCHEMBL20075998 0.74 SLC7A5 (0.39) TSHRALDH1A1MAPK1ANPEPSLC7A5
SCHEMBL6014526 0.74
SCHEMBL16029577 0.74
Hydrochloric Acid SCHEMBL10421333 0.73 MAPK1 (0.35) TSHRALDH1A1MAPK1ANPEPERAP1
Hydrochloric Acid SCHEMBL10421334 0.73 MAPK1 (0.35) TSHRALDH1A1MAPK1ANPEPERAP1

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
US-6127546-A Process for the preparation of oxazoline compound DONG KOOK PHARMACEUTICAL CO., LTD. (KR) 2000-10-03 US disclosed