SCHEMBL5574185

SCHEMBL5574185

N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N(C(=O)c1ccco1)[C@@H](CC1CCCCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LTA4H P09960 1/20 0.38
MC4R P32245 1/20 0.37
MC3R P41968 1/20 0.37
CTSS P25774 1/20 0.36
OPRD1 P41143 5/20 0.36
MMP1 P03956 1/20 0.36
FCER2 P06734 1/20 0.36
MMP2 P08253 1/20 0.36
CCR5 P51681 1/20 0.36
KMT2A Q03164 1/20 0.36
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
QRFPR Q96P65 1/20 0.35

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
SCHEMBL1449025 0.89 REN (0.42) ALDH1A1MMP1MMP2CCR5
SCHEMBL1450242 0.82 MMP1 (0.39) CTSSMMP1MMP2CCR5OPRM1
SCHEMBL265605 0.81 CCR5 (0.39) OPRD1MMP1FCER2MMP2CCR5
SCHEMBL265370 0.79 MMP1 (0.39) CTSSMMP1MMP2CCR5
Hydrochloric Acid SCHEMBL266228 0.79 MMP1 (0.38) CTSSMMP1MMP2CCR5
SCHEMBL2492378 0.74 CTSS (0.37) HPGDSMN1; SMN2ALDH1A1CTSSKMT2A
SCHEMBL266063 0.72 CTSS (0.43) HPGDALDH1A1CTSSKMT2A
SCHEMBL1449086 0.70 SLC6A2 (0.41) CTSSMMP1MMP2KMT2AOPRK1
SCHEMBL21172315 0.69 KMT2A (0.55) KMT2A
SCHEMBL21172402 0.69 KMT2A (0.55) KMT2A

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-1845104-A1 PAR-2 AGONIST Kowa Company. Ltd. (JP) 2007-10-17 EP claimed