SCHEMBL7933480

SCHEMBL7933480

CC(C)CNNC(=O)[C@@](CC(C)C)(C(=O)CN1CCCC1)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MCHR1 Q99705 3/20 0.31
CHRM3 P20309 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CTSK P43235 1/20 0.30
SLC6A3 Q01959 2/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL6944688 0.91 P2RX3 (0.31) TGFBR1
SCHEMBL7933428 0.80 P2RX3 (0.33) SLC6A3TGFBR1
SCHEMBL7933475 0.79 CTSK (0.32) MEN1KMT2AALDH1A1GAACTSK
SCHEMBL6944685 0.77 ADAM17 (0.34) TGFBR1
SCHEMBL7819016 0.76 TGFBR1 (0.32) TGFBR1
SCHEMBL6983937 0.76 ADAM17 (0.42) ALDH1A1CTSKSLC6A3TGFBR1
SCHEMBL7930228 0.74 CTSC (0.33) SLC6A3TGFBR1
SCHEMBL6941960 0.74 ADAM17 (0.33) MEN1KMT2AALDH1A1GAATGFBR1
SCHEMBL7928806 0.74 P2RX3 (0.34) ALDH1A1GAASLC6A3TGFBR1
SCHEMBL7937958 0.74 P2RX3 (0.31) MCHR1TGFBR1

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
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed