SCHEMBL7521907

SCHEMBL7521907

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(O)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.67
CTSS P25774 1/20 0.67
CTSK P43235 1/20 0.67
NMBR P28336 5/20 0.62
TACR3 P29371 1/20 0.61
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TACR1 P25103 2/20 0.60
TP53 P04637 1/20 0.59
ACHE P22303 2/20 0.58
BCHE P06276 1/20 0.58
CA2 P00918 1/20 0.57
KMT2A Q03164 1/20 0.57
ACE P12821 1/20 0.57

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
SCHEMBL9833490 0.90 CTSL (0.76) CTSLCTSSCTSKNMBRTACR3
SCHEMBL15145404 0.85 CTSL (0.77) CTSLCTSSCTSKNMBRTACR3
SCHEMBL15145364 0.85 CTSL (0.77) CTSLCTSSCTSKNMBRTACR3
SCHEMBL7522969 0.84 CTSS (0.56) CTSLCTSSCTSKMAPTCA2
SCHEMBL18879584 0.83 CTSL (0.74) CTSLCTSSCTSKNMBRTACR3
SCHEMBL17884340 0.83 CTSL (0.74) CTSLCTSSCTSKNMBRTACR3
SCHEMBL9834534 0.83 CTSL (0.80) CTSLCTSSCTSKNMBRMAPT
SCHEMBL17807348 0.83 CTSL (0.80) CTSLCTSSCTSKNMBRTACR3
SCHEMBL7519424 0.82 BRS3 (0.59) CTSLNMBRTACR1CA2KMT2A
SCHEMBL7443477 0.82 CTSL (0.72) CTSLCTSSCTSKNMBRTACR3

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
EP-1165492-A1 HYDROXYPHENYL DERIVATIVES WITH HIV INTEGRASE INHIBITORY PROPERTIES Pharmacor Inc. (CA) 2002-01-02 EP disclosed
WO-2000059867-A1 HYDROXYPHENYL DERIVATIVES WITH HIV INTEGRASE INHIBITORY PROPERTIES PHARMACOR INC. (CA) 2000-10-12 WO disclosed