SCHEMBL7928682

SCHEMBL7928682

CC(C)CC(Cc1ccccc1)(C(=O)NNC(=O)Cc1cccnc1)[C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
FKBP1A P62942 5/20 0.34
BRS3 P32247 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
PTAFR P25105 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ACACB O00763 2/20 0.32
REN P00797 1/20 0.32

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
SCHEMBL6982858 0.73 MMP1 (0.38) FKBP1ACTSLCTSBPTAFRREN
SCHEMBL4290067 0.71 MMP2 (0.41) EPHX2FKBP1A
SCHEMBL7840445 0.71 MMP1 (0.46) EPHX2
SCHEMBL7840440 0.70 LMNA (0.40) EPHX2
SCHEMBL7848831 0.70 ADRA1B (0.33) FKBP1ACYP1A2CYP2C9
SCHEMBL7928679 0.69 LONP1 (0.33) REN
SCHEMBL7478743 0.69 MMP2 (0.39) FKBP1AREN
SCHEMBL6983470 0.68 BMP1 (0.39) CTSLCTSBREN
SCHEMBL6983815 0.68 MMP1 (0.41) EPHX2CYP1A2
SCHEMBL9836588 0.67 EPHX2 (0.54) EPHX2

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