SCHEMBL6270839

SCHEMBL6270839

CC(C)C[C@H](NC(=O)CP(=O)(O)C(Cc1ccccc1)NC(=O)c1cccs1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.60
MMP9 P14780 11/20 0.60
MMP8 P22894 11/20 0.60
MMP14 P50281 11/20 0.60
MMP7 P09237 1/20 0.60
ANPEP P15144 3/20 0.56
ERAP1 Q9NZ08 3/20 0.56
IL1RN P18510 2/20 0.56
ERAP2 Q6P179 2/20 0.56
LNPEP Q9UIQ6 1/20 0.56
ECE1 P42892 2/20 0.54
MMP11 P24347 2/20 0.52
KISS1R Q969F8 3/20 0.51

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
SCHEMBL6281455 1.00 MMP2 (0.60) MMP2MMP9MMP8MMP14MMP7
SCHEMBL6271439 0.87 GHSR (0.54) MMP2MMP9MMP8MMP14MMP7
SCHEMBL6271909 0.81 MMP2 (0.44) MMP2MMP7ERAP1ERAP2LNPEP
SCHEMBL6271906 0.81 MMP2 (0.44) MMP2MMP7ERAP1ERAP2LNPEP
SCHEMBL6274298 0.77 MMP2 (0.70) MMP2MMP9MMP8MMP14MMP7
SCHEMBL8276969 0.77 MMP2 (0.70) MMP2MMP9MMP8MMP14MMP7
SCHEMBL30721645 0.76 CCKBR (0.64) MMP2MMP9MMP8ECE1KISS1R
SCHEMBL25627229 0.76 ECE1 (0.63) ERAP1IL1RNERAP2ECE1KISS1R
SCHEMBL11569573 0.75 KISS1R (0.63) ERAP1IL1RNERAP2ECE1KISS1R
Hydrochloric Acid SCHEMBL10419482 0.74 KISS1R (0.68) ECE1KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005105843-A2 HIV PROTEASE INHIBITORS ARPIDA A/S (DK) 2005-11-10 WO claimed
WO-2005105843-A2 HIV PROTEASE INHIBITORS ARPIDA A/S (DK) 2005-11-10 WO disclosed