SCHEMBL9803577

SCHEMBL9803577

CC(C)COc1ccccc1NC(=O)CCCN(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
CYP2C19 P33261 1/20 0.49
LTA4H P09960 1/20 0.48
POLB P06746 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CACNA1H O95180 2/20 0.45
CACNA1B Q00975 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL9803128 0.86 GAA (0.57) GAACYP2C19POLBL3MBTL1ATM
SCHEMBL14084376 0.78 KMT2A (0.51) LTA4HPOLBALDH1A1KDM4ETERT
SCHEMBL9803079 0.76 CHRM2 (0.44) POLBCACNA1BKDM4EKMT2A
SCHEMBL14108063 0.76 HDAC3 (0.68) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8156575 0.74 CYP2C19 (0.57) GAACYP2C19POLBL3MBTL1ATM
SCHEMBL14803682 0.72 KMT2A (0.57) GAACYP2C19LTA4HPOLBL3MBTL1
SCHEMBL13676821 0.72 KDM4E (0.48) GAACYP2C19POLBL3MBTL1ATM
SCHEMBL17354497 0.71 CACNA1H (0.54) POLBCACNA1HCACNA1BALDH1A1KDM4E
SCHEMBL9803408 0.71 KDM4E (0.43) ALDH1A1KDM4E
SCHEMBL31494757 0.70 L3MBTL1 (0.46) GAACYP2C19POLBL3MBTL1ALDH1A1

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-5075325-A Cardiovascular disorders SYNTHELABO (FR) 1991-12-24 US disclosed
US-5001159-A Hypotensive, antiulcer, antiischemic agents; migraines, asthma epilepsy, anticoagulants; cardiovasculat disorders SYNTHELABO (FR) 1991-03-19 US disclosed