SCHEMBL7757017

SCHEMBL7757017

C=C(C)C(=O)NCCC(O)CC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.35
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
ANPEP P15144 2/20 0.33
RNPEP Q9H4A4 2/20 0.33
DNPEP Q9ULA0 1/20 0.33
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL6800579 0.89 DPP7 (0.35) TGFBR1USP2TSHRDPP7
SCHEMBL18141154 0.85 TGFBR1 (0.43) TGFBR1ANPEPRNPEPDNPEPRAB9A
SCHEMBL3851756 0.83 TGFBR1 (0.34) TGFBR1ANPEPRNPEPDNPEPRAB9A
SCHEMBL28939419 0.83 TGFBR1 (0.34) TGFBR1USP2TSHRANPEPRNPEP
SCHEMBL98539 0.82 TGFBR1 (0.38) TGFBR1ANPEPRNPEPDNPEPRAB9A
SCHEMBL9171515 0.80 TGFBR1 (0.33) TGFBR1USP2TSHRANPEPRNPEP
Ammonia Solution, Strong SCHEMBL28096709 0.80 TGFBR1 (0.37) TGFBR1ANPEPRNPEPDNPEPRAB9A
SCHEMBL14931 0.80 TGFBR1 (0.37) TGFBR1USP2TSHRALDH1A1
SCHEMBL157717 0.80 ALDH1A1 (0.45) TGFBR1TSHRANPEPRNPEPDNPEP
SCHEMBL14413834 0.80 TGFBR1 (0.37) TGFBR1ANPEPRNPEPDNPEPRAB9A

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-1077392-A1 Photosensitive lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2001-02-21 EP disclosed