SCHEMBL238063

SCHEMBL238063

CCCCNC(=O)C(C)(C)/N=N\C(C)(C)C(=O)NCCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.50
ACHE P22303 7/20 0.44
MMP2 P08253 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL36475 1.00 EPHX1 (0.50) EPHX1ACHEMMP2MEN1KMT2A
SCHEMBL36474 1.00 EPHX1 (0.50) EPHX1ACHEMMP2MEN1KMT2A
SCHEMBL3412629 0.93 EPHX1 (0.44) EPHX1ACHEMMP2MEN1KMT2A
SCHEMBL1157329 0.92 EPHX1 (0.61) EPHX1MEN1KMT2A
SCHEMBL1157325 0.92 EPHX1 (0.61) EPHX1MEN1KMT2A
SCHEMBL17227614 0.91 EPHX1 (0.43) EPHX1ACHEMMP2
SCHEMBL17227616 0.89 EPHX1 (0.42) EPHX1ACHEMMP2MEN1KMT2A
SCHEMBL1156659 0.87 KDM4C (0.44) EPHX1MMP2MEN1KMT2AALDH1A1
SCHEMBL1156662 0.87 KDM4C (0.44) EPHX1MMP2MEN1KMT2AALDH1A1
SCHEMBL15355956 0.84 EPHX1 (0.47) EPHX1ACHEMMP2TSHRHTT

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-20120003479-A1 SURFACE MODIFICATION OF NANO-DIAMONDS AND MANUFACTURING METHOD THEREOF INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-05 US disclosed