SCHEMBL6987301

SCHEMBL6987301

CC(C)CNNC(=O)[C@H](CC(C)C)[C@H](CCCC1CCCCC1)C(=O)NOC1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 9/20 0.34
BCHE P06276 1/20 0.33
MMP2 P08253 1/20 0.33
CTSD P07339 4/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
METAP2 P50579 1/20 0.31
NAAA Q02083 1/20 0.31
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL6983815 0.84 MMP1 (0.41) MMP2CCNA2CDK2CCNA1CDK5
SCHEMBL6940361 0.81 ADAM17 (0.37) BMP1BCHEMMP2PDE4APDE4B
SCHEMBL6220706 0.80 BMP1 (0.33) BMP1BCHEMMP2PDE4APDE4B
SCHEMBL7838011 0.79 BMP1 (0.34) BMP1MMP2PDE4APDE4BPDE4C
SCHEMBL6939989 0.78 BCHE (0.39) BMP1BCHEMMP2CTSDMETAP2
SCHEMBL6982430 0.78 BCHE (0.30) BCHE
SCHEMBL6987806 0.77 BCHE (0.37) BMP1BCHEMMP2METAP2
SCHEMBL6983937 0.76 ADAM17 (0.42) MMP2CCNA2CDK2CCNA1CDK5
SCHEMBL6986604 0.76 BMP1 (0.30) BMP1MMP2
SCHEMBL6945603 0.75 ADAM17 (0.38) BMP1MMP2METAP2

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