SCHEMBL10748434

SCHEMBL10748434

CC(=O)CCc1cc(C)cc(NC(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
HSD17B10 Q99714 3/20 0.46
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL10783415 0.90 LMNA (0.48) KMT2AMEN1HSD17B10LMNATDP1
SCHEMBL10750973 0.83 KMT2A (0.48) KMT2AMEN1HSD17B10LMNATDP1
SCHEMBL10781647 0.82 L3MBTL1 (0.43) KMT2AMEN1HSD17B10LMNAALDH1A1
SCHEMBL9632300 0.82 ALDH1A1 (0.54) KMT2ALMNAALDH1A1KDM4EMAPT
SCHEMBL10752136 0.80 SMN1; SMN2 (0.50) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL15787356 0.80 KMT2A (0.47) KMT2AMEN1HSD17B10LMNATDP1
SCHEMBL10753056 0.80 GRIN1 (0.40) KMT2ALMNAALDH1A1KDM4EHPGD
SCHEMBL10751967 0.78 LMNA (0.47) LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL25123337 0.78 KMT2A (0.43) KMT2AMEN1HSD17B10LMNATDP1
SCHEMBL10748524 0.78 ALOX5 (0.45) KMT2AMEN1HSD17B10TDP1ALDH1A1

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-4659737-A Substituted aminomethyl benzopyrans having anti-hypertensive activities BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
US-4647579-A Circulation active novel substituted 4-hydroxy-benzopyrans BAYER AKTIENGESELLSCHAFT (DE) 1987-03-03 US disclosed