SCHEMBL3679560

SCHEMBL3679560

CC(C)CC(OC(=O)c1ccccc1)C(C)OC(=O)c1ccccc1.CCCC(C)(O)C(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 4/20 0.38
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36
HTR1A P08908 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SCN5A Q14524 1/20 0.36
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 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
SCHEMBL4837043 0.84 TSHR (0.49) LMNACYP2D6CYP1A2TDP1SCN1A
SCHEMBL1783903 0.84 CYP2D6 (0.41) MEN1KMT2ALMNACYP2D6CYP1A2
SCHEMBL1785964 0.76 TSHR (0.46) MEN1KMT2ALMNACYP2D6CYP1A2
SCHEMBL31147033 0.76 TSHR (0.42) MEN1KMT2ALMNACYP2D6CYP1A2
SCHEMBL1784670 0.75 LMNA (0.49) MEN1KMT2ALMNACYP2D6CYP1A2
SCHEMBL1788436 0.74 TSHR (0.50) MEN1KMT2ALMNACYP2D6CYP1A2
SCHEMBL25982607 0.74 TSHR (0.50) MEN1KMT2ALMNACYP2D6CYP1A2
Benzoic Acid SCHEMBL3679558 0.74 DAO (0.36) MEN1KMT2ALMNACYP2D6CYP1A2
Benzoic Acid SCHEMBL1783901 0.74 DAO (0.36) MEN1KMT2ALMNACYP2D6CYP1A2
SCHEMBL1784212 0.74 TSHR (0.46) MEN1KMT2ALMNACYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185600-A1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE Dow Global Technologies Inc. (US) 2010-05-19 EP disclosed
WO-2009029447-A1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE DOW GLOBAL TECHNOLOGIES INC. (US) 2009-03-05 WO disclosed