SCHEMBL6440486

SCHEMBL6440486

CCCCNC(=O)NC(NC(=O)NCCCC)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.49
CNR2 P34972 6/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ALOX12 P18054 1/20 0.45
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA1A P35348 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44

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
SCHEMBL6438903 0.84 EPHX2 (0.56) EPHX1CNR2LMNAALDH1A1TSHR
SCHEMBL6437583 0.82 ALDH1A1 (0.58) EPHX1CNR2SMN1; SMN2HDAC3HDAC1
SCHEMBL6436219 0.82 NPSR1 (0.52) CNR2SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL14285965 0.77 EPHX2 (0.49) EPHX1CNR2LMNAALDH1A1TSHR
SCHEMBL10585478 0.76 CNR1 (0.69) EPHX1LMNASMN1; SMN2HDAC1HDAC2
SCHEMBL10909336 0.76 ALDH1A1 (0.50) CNR2LMNASMN1; SMN2HDAC3HDAC1
SCHEMBL14003526 0.75 CNR2 (0.51) CNR2SMN1; SMN2ALDH1A1NPSR1
SCHEMBL6359381 0.72 HDAC3 (0.71) SMN1; SMN2HDAC3HDAC1HDAC2TSHR
SCHEMBL14288518 0.72 NPSR1 (0.64) EPHX1CNR2LMNAALDH1A1TSHR
SCHEMBL14424476 0.72 EPHX1 (0.71) EPHX1LMNASMN1; SMN2HDAC1HDAC2

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-20050077648-A1 Solution casting method and polymer film FUJIFILM CORPORATION (JP) 2005-04-14 US disclosed