SCHEMBL766600

SCHEMBL766600

CCCNC(=O)C(C)C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
EPHX1 P07099 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ECE1 P42892 1/20 0.35

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
SCHEMBL13924988 0.84 FNTA (0.57) FNTAFNTBEPHX1SMN1; SMN2DPP7
SCHEMBL14496136 0.84 FNTA (0.57) FNTAFNTBEPHX1SMN1; SMN2DPP7
SCHEMBL10489342 0.82 USP2 (0.44) USP2TSHRMMP1MMP2MMP3
SCHEMBL13904083 0.82 TSHR (0.37) USP2TSHRMMP1MMP2MMP3
SCHEMBL13412852 0.82 TSHR (0.37) USP2TSHRMMP1MMP2MMP3
SCHEMBL22879249 0.78 USP2 (0.46) USP2TSHRMMP1MMP2MMP3
SCHEMBL766545 0.78 ALDH1A1 (0.42) USP2TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL14346378 0.78 KMT2A (0.38) USP2TSHRFNTAFNTBSMN1; SMN2
SCHEMBL100593 0.77
SCHEMBL8816526 0.76 USP2 (0.48) USP2TSHRMMP1MMP2MMP3

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-20120067821-A1 Filter Medium For Leukocyte Removal CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2012-03-22 US disclosed