SCHEMBL677190

SCHEMBL677190

CCC(C)C(NC(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 4/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 1/20 0.44
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.43
ATP1A1 P05023 1/20 0.43
ATP1B1 P05026 1/20 0.43
ATP1A3 P13637 1/20 0.43
ATP1B2 P14415 1/20 0.43

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
SCHEMBL28722784 0.82 LMNA (0.47) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL11214430 0.81 HDAC1 (0.62) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL28707494 0.80 LMNA (0.52) KMT2ALMNASMN1; SMN2ALDH1A1HDAC1
SCHEMBL1952124 0.79 KEAP1 (0.50) KMT2AMEN1LMNAALDH1A1HDAC1
SCHEMBL16965686 0.79 KEAP1 (0.50) KMT2AMEN1LMNAALDH1A1HDAC1
SCHEMBL13380235 0.79 KEAP1 (0.50) KMT2AMEN1LMNAALDH1A1HDAC1
SCHEMBL28719755 0.79 KEAP1 (0.49) KMT2AMEN1LMNAPOLBSMN1; SMN2
SCHEMBL18766237 0.79 KEAP1 (0.50) KMT2AMEN1LMNAALDH1A1HDAC1
SCHEMBL16857387 0.79 KEAP1 (0.49) KMT2AMEN1LMNAPOLBSMN1; SMN2
SCHEMBL16857260 0.79 KEAP1 (0.49) KMT2AMEN1LMNAPOLBSMN1; SMN2

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-3122785-A2 NANOCRYSTALINE CELLULOSE AS ABSORBENT AND ENCAPSULATION MATERIAL Melodea Ltd. (IL) 2017-02-01 EP claimed
US-9655359-B2 Solid core microcapsular compositions and uses thereof BOTANOCAP LTD. (IL) 2017-05-23 US disclosed
EP-3122785-A2 NANOCRYSTALINE CELLULOSE AS ABSORBENT AND ENCAPSULATION MATERIAL Melodea Ltd. (IL) 2017-02-01 EP disclosed
EP-2330890-B1 SOLID CORE MICROCAPSULAR COMPOSITIONS AND USES THEREOF BOTANOCAP LTD (IL) 2017-01-18 EP disclosed
US-20160369121-A1 NANOCRYSTALINE CELLULOSE AS ABSORBENT AND ENCAPSULATION MATERIAL MELODEA LTD. (IL) 2016-12-22 US disclosed
US-20110268780-A1 SOLID CORE MICROCAPSULAR COMPOSITIONS AND USES THEREOF BOTANOCAP LTD. (IL) 2011-11-03 US disclosed
EP-2330890-A2 SOLID CORE MICROCAPSULAR COMPOSITIONS AND USES THEREOF Botanocap Ltd. (IL) 2011-06-15 EP disclosed
WO-2010018576-A2 SOLID CORE MICROCAPSULAR COMPOSITIONS AND USES THEREOF BOTANOCAP LTD. (IL) 2010-02-18 WO disclosed