SCHEMBL14229162

SCHEMBL14229162

CCCC(=O)N(c1cccc(-c2ccccc2)c1)C(C)CC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
LTB4R2 Q9NPC1 2/20 0.45
F2R P25116 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PTGES O14684 1/20 0.38
GSK3B P49841 2/20 0.38
GSK3A P49840 1/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL14229354 0.91 TP53 (0.49) TP53LTB4R2F2RSMN1; SMN2HPGD
SCHEMBL14228940 0.89 TP53 (0.53) TP53LTB4R2F2RSMN1; SMN2HPGD
SCHEMBL14228936 0.87 LTB4R2 (0.47) TP53LTB4R2F2RSMN1; SMN2HPGD
SCHEMBL14543508 0.85 TP53 (0.51) TP53LTB4R2F2RSMN1; SMN2HPGD
SCHEMBL14200490 0.84 LTB4R2 (0.38) TP53LTB4R2SMN1; SMN2MEN1KMT2A
SCHEMBL14229029 0.83 MEN1 (0.45) TP53LTB4R2SMN1; SMN2HPGDMEN1
SCHEMBL14229153 0.83 LTB4R2 (0.49) TP53LTB4R2F2RSMN1; SMN2HPGD
SCHEMBL14229073 0.82 L3MBTL1 (0.41) TP53SMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL14229025 0.82 ALDH1A1 (0.42) TP53LTB4R2SMN1; SMN2HPGDALDH1A1
SCHEMBL14229381 0.82 TP53 (0.41) TP53L3MBTL1PTGS2

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
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed