SCHEMBL2187602

SCHEMBL2187602

CCCCCNC(=O)CCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 1.00
GAA P10253 1/20 0.69
LMNA P02545 2/20 0.68
KDM4E B2RXH2 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
HDAC3 O15379 1/20 0.66
TSHR P16473 1/20 0.63
KEAP1 Q14145 1/20 0.62
NFE2L2 Q16236 1/20 0.62
EPHX2 P34913 2/20 0.61
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60

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
SCHEMBL13287459 0.98 HPGD (0.97) HPGDGAALMNAKDM4EL3MBTL1
SCHEMBL5933901 0.98 HPGD (0.97) HPGDGAALMNAKDM4EL3MBTL1
SCHEMBL1093862 0.95 HPGD (0.91) HPGDGAALMNAKDM4EL3MBTL1
SCHEMBL27381884 0.91 HPGD (0.83) HPGDLMNAL3MBTL1HDAC3TSHR
SCHEMBL11367962 0.90 HPGD (0.82) HPGDGAA
SCHEMBL8744900 0.90 HPGD (0.81) HPGDGAALMNAKDM4EL3MBTL1
SCHEMBL27404704 0.89 HPGD (0.80) HPGDGAALMNAKDM4EL3MBTL1
SCHEMBL6360887 0.88 HPGD (0.79) HPGDGAALMNAKDM4EL3MBTL1
SCHEMBL7426779 0.87 EPHX2 (0.78) HPGDHDAC3EPHX2HDAC1HDAC2
SCHEMBL15598268 0.87 HPGD (0.77) HPGDGAALMNAKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP disclosed
CN-101198377-B Cosmetic composition for removing spots or whitening skin containing at least one oxazoline as active ingredient EXPANSCIENCE LAB 2011-01-05 CN disclosed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 WO disclosed
CN-101198377-A Cosmetic composition for removing spots or whitening skin containing at least one oxazoline as active ingredient EXPANSCIENCE LAB (FR) 2008-06-11 CN disclosed