SCHEMBL6982207

SCHEMBL6982207

CC(C)C[C@@H](C(=O)NN(CCC(C)(C)C)C(=O)[C@@H](C)N)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.42
TGFBR1 P36897 1/20 0.32
P2RX3 P56373 1/20 0.31
CTSC P53634 1/20 0.31
CASP1 P29466 1/20 0.30
CASP3 P42574 1/20 0.30
CASP7 P55210 1/20 0.30
CASP6 P55212 1/20 0.30
CASP8 Q14790 1/20 0.30
MASP2 O00187 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
SCHEMBL6988246 0.93 ADAM17 (0.43) ADAM17TGFBR1P2RX3CTSC
SCHEMBL6984594 0.93 ADAM17 (0.43) ADAM17TGFBR1P2RX3CTSCMASP2
SCHEMBL6986902 0.91 ADAM17 (0.42) ADAM17TGFBR1P2RX3CTSC
SCHEMBL6987554 0.91 ADAM17 (0.42) ADAM17TGFBR1P2RX3CTSCMASP2
SCHEMBL6982346 0.91 ADAM17 (0.41) ADAM17TGFBR1CTSC
SCHEMBL6987483 0.90 ADAM17 (0.41) ADAM17TGFBR1CTSC
SCHEMBL6986338 0.90 ADAM17 (0.41) ADAM17TGFBR1
SCHEMBL6988681 0.90 ADAM17 (0.43) ADAM17TGFBR1P2RX3CTSC
SCHEMBL6986737 0.90 ADAM17 (0.43) ADAM17TGFBR1P2RX3CTSCMASP2
SCHEMBL6979989 0.89 ADAM17 (0.41) ADAM17TGFBR1CTSC

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-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
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