SCHEMBL15970644

SCHEMBL15970644

O=C(C=Cc1ccc(Br)cc1)NCCc1ccc(O)cc1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.75
MMP2 P08253 4/20 0.75
MMP9 P14780 4/20 0.75
BCHE P06276 1/20 0.70
ACHE P22303 1/20 0.70
POLB P06746 1/20 0.61
RECQL P46063 1/20 0.61
PLAAT3 P53816 1/20 0.59
PLAAT5 Q96KN8 1/20 0.59
PLAAT2 Q9NWW9 1/20 0.59
PLAAT4 Q9UL19 1/20 0.59
APP P05067 1/20 0.58
MAPT P10636 1/20 0.58
NLRP3 Q96P20 1/20 0.58
ARG1 P05089 1/20 0.55

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
SCHEMBL15970642 1.00 MMP1 (0.75) MMP1MMP2MMP9BCHEACHE
N-P-Coumaroyl Tyramine SCHEMBL19551426 0.93 MMP1 (0.86) MMP1MMP2MMP9BCHEACHE
N-P-Coumaroyl Tyramine SCHEMBL2512193 0.93 MMP1 (0.86) MMP1MMP2MMP9BCHEACHE
SCHEMBL4375129 0.86 MAPT (0.78) MMP1MMP2MMP9BCHEACHE
SCHEMBL7380044 0.86 MMP1 (0.89) MMP1MMP2MMP9BCHEACHE
SCHEMBL30977101 0.86 MMP1 (1.00) MMP1MMP2MMP9BCHEACHE
SCHEMBL22702505 0.86 MMP1 (0.89) MMP1MMP2MMP9BCHEACHE
SCHEMBL16382865 0.85 APP (0.81) MMP1MMP2MMP9BCHEACHE
SCHEMBL10084157 0.83 ALDH1A1 (0.73) MMP1MMP2MMP9BCHEACHE
SCHEMBL24305785 0.82 ACHE (1.00) MMP1MMP2MMP9BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014129874-A1 PIPER AMIDE-BASED COMPOUND AS BOMBESIN RECEPTOR SUBTYPE 3 서울대학교산학협력단 (KR) 2014-08-28 WO disclosed