SCHEMBL7848831

SCHEMBL7848831

CC(C)C[C@](C(N)=O)([C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1)n1c(=O)[nH]c2ncccc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
FKBP1A P62942 1/20 0.30
FEN1 P39748 1/20 0.30
EP300 Q09472 1/20 0.30
CREBBP Q92793 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7848659 0.80 MMP1 (0.35) ADRA1BCNR1CNR2ALDH1A1CYP1A2
SCHEMBL7928682 0.70 EPHX2 (0.35) CYP1A2CYP2C9FKBP1A
SCHEMBL4290067 0.70 MMP2 (0.41) FKBP1AHPGD
SCHEMBL7840445 0.70 MMP1 (0.46)
SCHEMBL6221034 0.68 MMP1 (0.38) FKBP1A
SCHEMBL7840440 0.67 LMNA (0.40) ALDH1A1
SCHEMBL7837029 0.67 MMP1 (0.34) ADRA1BALDH1A1FKBP1AKDM4EGAA
SCHEMBL7839640 0.67 HPGD (0.41) ALDH1A1GAAHPGD
SCHEMBL7955118 0.66 MMP1 (0.37) FKBP1A
SCHEMBL7478743 0.66 MMP2 (0.39) FKBP1A

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-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed