SCHEMBL9854646

SCHEMBL9854646

N#CC(CCC(=O)O)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
CPA3 P15088 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
MDM2 Q00987 1/20 0.41
GAA P10253 1/20 0.41
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

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
SCHEMBL11147694 0.82 ALKBH5 (0.43) NR4A2TSHRCPA3ALKBH5MDM2
SCHEMBL31468333 0.79 PGR (0.47) ALDH1A1ALKBH5MDM2TDP1L3MBTL1
SCHEMBL28434636 0.79 GAA (0.39) NR4A2ALDH1A1CYP2C19CYP2D6CYP1A2
SCHEMBL9019110 0.77 ALKBH5 (0.46) ALDH1A1TSHRALKBH5MDM2TDP1
SCHEMBL7030603 0.77 MDM2 (0.59) ALDH1A1CYP1A2MDM2MAPTRAB9A
SCHEMBL9019293 0.76 MDM2 (0.41) NR4A2ALDH1A1TSHRALKBH5MDM2
SCHEMBL6821357 0.76 CPA3 (0.56) NR4A2ALDH1A1CYP2C19CYP2D6CYP1A2
SCHEMBL29029682 0.76 MDM2 (0.57) NR4A2ALDH1A1CYP2C19CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL2761665 0.74 MAPT (0.56) NR4A2ALDH1A1CYP2C19CYP2D6CYP1A2
SCHEMBL8535917 0.74 TET2 (0.50) NR4A2ALDH1A1CYP2C19CYP2D6CYP1A2

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
EP-0412933-A1 Coating compositions CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed