SCHEMBL14229244

SCHEMBL14229244

CCCCCC(C)N(C(=O)CCC)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 2/20 0.38
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GPX4 P36969 1/20 0.35
PAX8 Q06710 1/20 0.35
PARP1 P09874 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL14229231 0.91 L3MBTL1 (0.40) OGG1L3MBTL1LMNAPOLBTP53
SCHEMBL14229073 0.87 L3MBTL1 (0.41) OGG1L3MBTL1LMNAPOLBTP53
SCHEMBL14200990 0.87 RIPK1 (0.37) OGG1L3MBTL1LMNACYP1A2POLB
SCHEMBL14229132 0.86 ALDH1A1 (0.49) L3MBTL1LMNATP53ALDH1A1NPC1
SCHEMBL14229300 0.86 OGG1 (0.42) OGG1L3MBTL1LMNACYP1A2POLB
SCHEMBL14229379 0.85 ALDH1A1 (0.42) ALDH1A1NPC1
SCHEMBL14229125 0.85 MAPK1 (0.39) L3MBTL1TP53ALDH1A1NPC1RAB9A
SCHEMBL14228936 0.84 LTB4R2 (0.47) L3MBTL1POLBTP53NPC1RAB9A
SCHEMBL14229204 0.84 TP53 (0.37) TP53MTNR1BALDH1A1NPC1RAB9A
SCHEMBL14230173 0.83 L3MBTL1 (0.42) OGG1L3MBTL1LMNACYP1A2POLB

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