SCHEMBL7637109

SCHEMBL7637109

O=C(OCc1ccccc1)C(=O)C1CCCCCCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
FKBP1A P62942 4/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
EPHX1 P07099 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP2C19 P33261 2/20 0.48
GAA P10253 1/20 0.48
EPHX2 P34913 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL7641957 1.00 ALDH1A1 (0.53) ALDH1A1FKBP1AKMT2AMEN1EPHX1
SCHEMBL2706422 1.00 ALDH1A1 (0.53) ALDH1A1FKBP1AKMT2AMEN1EPHX1
SCHEMBL304689 0.98 FKBP1A (0.53) ALDH1A1FKBP1AKMT2AMEN1EPHX1
SCHEMBL7639964 0.95 FKBP1A (0.50) ALDH1A1FKBP1AKMT2AMEN1SMN1; SMN2
SCHEMBL7642406 0.92 ALDH1A1 (0.55) ALDH1A1FKBP1AKMT2ASMN1; SMN2NPC1
SCHEMBL21448985 0.86 TSHR (0.46) ALDH1A1FKBP1AKMT2AMEN1SMN1; SMN2
SCHEMBL23627579 0.84 TSHR (0.50) ALDH1A1FKBP1AKMT2ASMN1; SMN2NPC1
SCHEMBL22644548 0.84 ALDH1A1 (0.49) ALDH1A1FKBP1AKMT2ASMN1; SMN2NPC1
SCHEMBL23306961 0.84 ALDH1A1 (0.49) ALDH1A1FKBP1AKMT2ASMN1; SMN2NPC1
SCHEMBL15751214 0.84 KMT2A (0.51) ALDH1A1FKBP1AKMT2AMEN1SMN1; SMN2

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-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed