SCHEMBL6658418

SCHEMBL6658418

C=C(C(=O)O)C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 1/20 0.54
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
EPHX1 P07099 1/20 0.49
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
TXNRD1 Q16881 1/20 0.48
PLIN1 O60240 1/20 0.47
PLIN5 Q00G26 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47

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
SCHEMBL4020010 0.85 AOC3 (0.60) ALDH1A1LMNA
SCHEMBL8517079 0.84 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL1867492 0.84 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL3056874 0.83 KMT2A (0.71) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL16628771 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL31572104 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTGAA
Methacrylic Acid SCHEMBL28898117 0.81 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL183463 0.81 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL14417753 0.81 KMT2A (0.54) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL29408754 0.80 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTL3MBTL1

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
JP-2004315464-A METHOD FOR PRODUCING ADAMANTYL ACRYLATE COMPOUND MITSUBISHI GAS CHEM CO INC 2004-11-11 JP disclosed