SCHEMBL15970703

SCHEMBL15970703

COc1ccc(CCNC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
ALDH1A1 P00352 3/20 0.69
TRPV1 Q8NER1 2/20 0.65
KMT2A Q03164 3/20 0.64
LMNA P02545 2/20 0.64
MEN1 O00255 2/20 0.64
TAAR1 Q96RJ0 1/20 0.62
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
POLB P06746 1/20 0.58
PLAAT3 P53816 1/20 0.58
PLAAT5 Q96KN8 1/20 0.58
PLAAT2 Q9NWW9 1/20 0.58
PLAAT4 Q9UL19 1/20 0.58
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54

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
SCHEMBL15970702 1.00 MAPT (0.69) MAPTALDH1A1TRPV1KMT2ALMNA
SCHEMBL10084157 0.86 ALDH1A1 (0.73) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL11568800 0.85 MAPT (0.65) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL11568796 0.85 MAPT (0.65) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL22422964 0.85 ALDH1A1 (0.77) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL11573961 0.82 MAPT (0.60) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL11573963 0.82 MAPT (0.60) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL14360894 0.81 MAPT (0.87) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL14360890 0.81 MAPT (0.87) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL30925683 0.81 APP (0.75) MAPTALDH1A1KMT2ALMNAMEN1

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