SCHEMBL11684190

SCHEMBL11684190

CC(=O)NC(C)(C(=O)S)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
KCNN4 O15554 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ELANE P08246 1/20 0.39
ESR1 P03372 1/20 0.38

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
SCHEMBL21807366 0.85 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28250865 0.85 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1448419 0.80 KCNN4 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11683710 0.79 NAPRT (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9344839 0.79 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8115153 0.78 ALDH1A1 (0.58) MAPTKMT2AKCNN4RECQLTSHR
SCHEMBL2283304 0.76 SSTR4 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7663635 0.75 ALOX5 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3322720 0.74 MAPT (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8226385 0.74 KCNN4 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2

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-4002682-A CHEMICAL INTERMEDIATES SAGAMI CHEMICAL RESEARCH CENTER (JA) 1977-01-11 US disclosed
US-3952044-A INTERMEDIATES SAGAMI CHEMICAL RESEARCH CENTER (JA) 1976-04-20 US disclosed