SCHEMBL6986852

SCHEMBL6986852

CC(C)CC(CCc1ccccc1)(C(=O)[C@@H](C)N)C(C(=O)NOC1CCCCO1)[C@H](C(=O)NN)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.32
CYP1A2 P05177 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HPGD P15428 1/20 0.31
SLC6A3 Q01959 2/20 0.31
MMP2 P08253 2/20 0.31
MMP3 P08254 1/20 0.31
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
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
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL6982386 0.81 TGFBR1 (0.31)
SCHEMBL6982424 0.75 BCHE (0.30)
SCHEMBL7805463 0.75 MEN1 (0.30) MMP3MEN1TSHRKMT2A
SCHEMBL6981382 0.75 REN (0.32) MMP3
SCHEMBL6986860 0.72 MMP3 (0.35) EPHX2MMP2MMP3MEN1TSHR
SCHEMBL6983813 0.72 MEN1 (0.36) CYP1A2TAAR1MMP2MMP3MEN1
SCHEMBL6986731 0.72 MMP2 (0.31) MMP2MMP3
SCHEMBL7812670 0.71 GPR88 (0.32) MMP3MEN1TSHRKMT2A
SCHEMBL6982283 0.71 REN (0.36) MMP3
SCHEMBL6987817 0.70 P2RX3 (0.33) MMP2

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