SCHEMBL9708620

SCHEMBL9708620

NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.62
SLC1A2 P43004 1/20 0.62
SLC1A1 P43005 1/20 0.62
FCER2 P06734 9/20 0.53
MME P08473 1/20 0.51
MMP1 P03956 3/20 0.51
IL1RN P18510 1/20 0.50
ERAP2 Q6P179 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
OPRM1 P35372 4/20 0.48
OPRD1 P41143 4/20 0.48

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
Hydrochloric Acid SCHEMBL16494253 0.85 SLC1A1 (0.51) SLC1A3SLC1A2SLC1A1FCER2MME
Hydrochloric Acid SCHEMBL27839534 0.85 SLC1A1 (0.51) SLC1A3SLC1A2SLC1A1FCER2MME
SCHEMBL11615674 0.85 ALDH1A1 (0.62) SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL27839518 0.84 LTA4H (0.53) SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL16494431 0.84 LTA4H (0.53) SLC1A3SLC1A2SLC1A1
SCHEMBL10049933 0.82 CTSC (0.60) FCER2MMP1
SCHEMBL29372257 0.82 CTSC (0.60) FCER2MMP1
SCHEMBL22649189 0.82 CTSC (0.60) FCER2MMP1
SCHEMBL22925587 0.82 CTSC (0.60) FCER2MMP1
SCHEMBL22563313 0.81 CTRB1 (0.62) FCER2MMEMMP1ERAP2ERAP1

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
WO-1992011284-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES THE JAMES BLACK FOUNDATION LIMITED (GB) 1992-07-09 WO disclosed