SCHEMBL6987467

SCHEMBL6987467

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)O)C(CNC(=O)c1ccccc1)(CC(C)C)C(=O)Cn1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 5/20 0.36
TBXAS1 P24557 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.34
CYP19A1 P11511 2/20 0.34
HMOX2 P30519 1/20 0.34
AGTR2 P50052 3/20 0.34

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
SCHEMBL6988039 0.94 CYP26A1 (0.36) CYP26A1TBXAS1FNTAFNTBPGGT1B
SCHEMBL6986413 0.91 CYP26A1 (0.37) CYP26A1TBXAS1FNTAFNTBPGGT1B
SCHEMBL6981901 0.89 HRH4 (0.39) CYP26A1TBXAS1FNTAFNTBPGGT1B
SCHEMBL7818934 0.88 CTSS (0.37) FNTAFNTBPGGT1BCYP3A4CYP2D6
SCHEMBL7808546 0.83 CTSS (0.36) FNTAFNTBPGGT1BHMOX2
SCHEMBL6987186 0.81 TBXAS1 (0.37) TBXAS1HMOX2AGTR2
SCHEMBL7816001 0.78 CTSK (0.41) CYP19A1
SCHEMBL6985861 0.75 HMOX2 (0.35) TBXAS1HMOX2
SCHEMBL7816193 0.74 CTSS (0.35) HMOX2
SCHEMBL6982695 0.74 CTSS (0.33) HMOX2AGTR2

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