SCHEMBL7933475

SCHEMBL7933475

CC(C)CC(C(=O)[C@](CC(C)C)(C(=O)NN)[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1)N1CCCC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.32
TGFBR1 P36897 1/20 0.32
AVPR1A P37288 2/20 0.31
MMP1 P03956 2/20 0.31
MMP3 P08254 2/20 0.31
CACNA1B Q00975 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CAPN1 P07384 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
P2RX3 P56373 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
SCHEMBL6944685 0.88 ADAM17 (0.34) TGFBR1P2RX3
SCHEMBL7819016 0.88 TGFBR1 (0.32) TGFBR1MMP1MMP3P2RX3
SCHEMBL7928806 0.80 P2RX3 (0.34) TGFBR1ALDH1A1GAAP2RX3
SCHEMBL7933480 0.79 KDM4E (0.33) CTSKTGFBR1MEN1KMT2AALDH1A1
SCHEMBL6944688 0.77 P2RX3 (0.31) TGFBR1P2RX3
SCHEMBL7835552 0.77 ADAM17 (0.44) TGFBR1ALDH1A1P2RX3
SCHEMBL7955132 0.77 ADAM17 (0.44) TGFBR1ALDH1A1P2RX3
SCHEMBL7930219 0.76 TGFBR1 (0.31) TGFBR1P2RX3
SCHEMBL8112771 0.76 SLC6A3 (0.31) TGFBR1P2RX3
SCHEMBL6980509 0.74 TGFBR1 (0.32) TGFBR1

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