SCHEMBL11147291

SCHEMBL11147291

CCOC(=O)CC(C)(C)C(Cl)C=C(Cl)c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
MAPT P10636 7/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
KMT2A Q03164 3/20 0.42
MAOB P27338 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL11162588 0.89 MAPT (0.43) MAPTALDH1A1HPGDHSD17B10ALOX15
SCHEMBL11063245 0.88 SMN1; SMN2 (0.43) MAPTALDH1A1HPGDKMT2AMAOB
SCHEMBL11482845 0.82 NR1I2 (0.41) MAPTALDH1A1HPGDMAOBHSD17B10
SCHEMBL11169423 0.79 MAPT (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11153325 0.78 ALDH1A1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11068444 0.78 PTGS2 (0.40) HDAC1HDAC8HDAC6ALDH1A1KMT2A
SCHEMBL9796690 0.76 GAA (0.36) ALDH1A1KMT2AALOX15L3MBTL1CYP1A2
SCHEMBL11064652 0.72 MGAM (0.33) ALDH1A1CYP1A2CYP2C19
SCHEMBL11064648 0.72 MGAM (0.33) ALDH1A1CYP1A2CYP2C19
SCHEMBL11148611 0.72 ALOX15 (0.39) 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-4400523-A Process for the preparation of styryl-cyclopropanecarboxylic acid esters and new intermediate products for this process BAYER AKTIENGESELLSCHAFT (DE) 1983-08-23 US disclosed
US-4325873-A Process for the preparation of styryl-cyclopropanecarboxylic acid esters and intermediate products for this process BAYER AKTIENGESELLSCHAFT (DE) 1982-04-20 US disclosed