SCHEMBL5554516

SCHEMBL5554516

CCC(CCCCCCCCCC1CCCCC1)NC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM5A P29375 3/20 0.39
PHF8 Q9UPP1 3/20 0.39
KDM2A Q9Y2K7 3/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM4A O75164 1/20 0.39
METAP2 P50579 1/20 0.38
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL5529889 1.00 SIGMAR1 (0.45) SIGMAR1TSHRCYP1A2ALDH1A1KMT2A
SCHEMBL3514223 0.84 ALDH1A1 (0.46) TSHRCYP1A2ALDH1A1KMT2AMETAP2
SCHEMBL1065289 0.84 ALDH1A1 (0.46) TSHRCYP1A2ALDH1A1KMT2AMETAP2
SCHEMBL11805171 0.76 PLA2G2C (0.44) KMT2A
SCHEMBL9322958 0.76 PLA2G2C (0.44) KMT2A
SCHEMBL7916905 0.74 CA1 (0.44)
Urea SCHEMBL1837240 0.73 CYP1A2 (0.63) SIGMAR1CYP1A2KMT2AKDM5APHF8
SCHEMBL16059756 0.73 CA2 (0.50) SIGMAR1CYP1A2ALDH1A1KMT2AKDM5A
SCHEMBL8513654 0.72 GNAI3 (0.40) KMT2AEPHX1
SCHEMBL22131838 0.72 METAP2 (0.46) SIGMAR1TSHRMETAP2EPHX1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814875-A2 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE The Regents of the University of California (US) 2007-08-08 EP disclosed
EP-1608319-A4 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2007-02-28 EP disclosed
WO-2006045119-A9 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2006-05-26 WO disclosed
WO-2006045119-A2 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-04-27 WO disclosed
EP-1608319-A2 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE The Regents of the University of California (US) 2005-12-28 EP disclosed
EP-1575489-A2 USE OF INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE TO INHIBIT VASCULAR SMOOTH MUSCLE CELL PROLIFERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-09-21 EP disclosed
WO-2004089296-A2 IMPROVED INHIBITORS FOR THE SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-10-21 WO disclosed
WO-2003061597-A2 USE OF INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE TO INHIBIT VASCULAR SMOOTH MUSCLE CELL PROLIFERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-07-31 WO disclosed