SCHEMBL8990085

SCHEMBL8990085

CC(=O)[C@H](CCc1ccccc1)C(N)=S

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.45
MMP8 P22894 2/20 0.44
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CNR2 P34972 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41

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
SCHEMBL11836988 0.91 MMP12 (0.50) TSHRHTTGAAPTGS1
SCHEMBL18424616 0.86 ALDH1A1 (0.48) ALDH1A1TSHRMMP8ANPEPERAP1
SCHEMBL6695161 0.86 ALDH1A1 (0.55) ALDH1A1TSHRMMP8ANPEPERAP1
SCHEMBL2569812 0.84 ALDH1A1 (0.53) ALDH1A1TSHRMMP8ANPEPERAP1
SCHEMBL7098213 0.81 ALDH1A1 (0.50) ALDH1A1TSHRMMP8KMT2AMEN1
SCHEMBL7098205 0.81 ALDH1A1 (0.50) ALDH1A1TSHRMMP8KMT2AMEN1
SCHEMBL341788 0.78 ANPEP (0.52) TSHRMMP8ANPEPERAP1ERAP2
SCHEMBL9264377 0.77 ANPEP (0.50) TSHRMMP8ANPEPERAP1ERAP2
SCHEMBL8534054 0.77 MMP8 (0.50) TSHRMMP8ANPEPERAP1ERAP2
SCHEMBL28105208 0.77 GRIK1 (0.49) ALDH1A1KMT2ASMN1; SMN2MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563250-A Cleavable conjugates for the delivery and release of agents in native form NEORX CORPORATION (US) 1996-10-08 US disclosed
US-5141648-A Methods for isolating compounds using cleavable linker bound matrices NEORX CORPORATION (US) 1992-08-25 US disclosed
EP-0318948-B1 CLEAVABLE IMMUNOCONJUGATES FOR THE DELIVERY AND RELEASE OF AGENTS IN NATIVE FORM NEORX CORPORATION (US) 1992-08-19 EP disclosed
US-5017693-A Methods for introducing a sulfhydryl amino or hydroxyl groups to a compound NEORX CORPORATION (US) 1991-05-21 US disclosed
EP-0318948-A2 Cleavable immunoconjugates for the delivery and release of agents in native form NEORX CORPORATION (US) 1989-06-07 EP disclosed