SCHEMBL5452927

SCHEMBL5452927

C=CC(=O)c1ccccc1C(=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.54
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 5/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
EGFR P00533 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
ALOX12 P18054 1/20 0.40
JAK1 P23458 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10347642 0.87 AKT1 (0.61) AKT1CYP3A4ALDH1A1ALOX15HSD17B10
SCHEMBL14918787 0.83 ALDH1A1 (0.64) AKT1POLBCYP3A4ALDH1A1ALOX15
SCHEMBL1645158 0.82 ALDH1A1 (0.58) POLBCYP2C19ALDH1A1ALOX15KDM4E
SCHEMBL28991884 0.79 AKT1 (0.54) AKT1CYP2C19CYP3A4ALDH1A1ALOX15
Vinyl Ether SCHEMBL8041439 0.78 AKT1 (0.52) AKT1CYP3A4ALDH1A1ALOX15HSD17B10
SCHEMBL243558 0.78 AKT1 (0.63) AKT1CYP2C19CYP3A4ALDH1A1HSD17B10
SCHEMBL29540662 0.78 AKT1 (0.63) AKT1CYP2C19CYP3A4ALDH1A1HSD17B10
SCHEMBL28675532 0.77 KDM4E (0.50) AKT1POLBCYP3A4ALDH1A1ALOX15
SCHEMBL8865435 0.77 AKT1 (0.50) AKT1POLBCYP3A4ALDH1A1ALOX15
SCHEMBL7697862 0.77 CYP3A4 (0.52) AKT1CYP3A4ALDH1A1ALOX15HSD17B10

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
US-20070242908-A1 Forming Method of Dynamic Pressure Generating Portion and Fluid Dynamic Bearing Device NTN CORPORATION (JP) 2007-10-18 US disclosed