SCHEMBL7766898

SCHEMBL7766898

CCCCC(Nc1ccccc1)=C(CC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 6/20 0.49
NPSR1 Q6W5P4 1/20 0.49
EPHX1 P07099 3/20 0.48
HTT P42858 1/20 0.48
ICMT O60725 1/20 0.47
ALB P02768 1/20 0.47
SOAT2 O75908 1/20 0.47
SOAT1 P35610 1/20 0.47
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL7766895 0.88 GAA (0.50) GAAMEN1KMT2AALDH1A1NPSR1
SCHEMBL11496108 0.85 MAPT (0.51) GAAMEN1KMT2AALDH1A1EPHX1
SCHEMBL7823722 0.79 MEN1 (0.55) GAAMEN1KMT2AALDH1A1NPSR1
SCHEMBL19732871 0.77 SOAT2 (0.56) GAAMEN1KMT2AALDH1A1NPSR1
SCHEMBL2183716 0.76 ALDH1A1 (0.76) ALDH1A1ICMTALBSOAT2SOAT1
SCHEMBL10472082 0.75 NAPRT (0.53) GAAMEN1KMT2AALDH1A1EPHX1
SCHEMBL11660177 0.75 ALDH1A1 (0.73) ALDH1A1ICMTALBSOAT2SOAT1
SCHEMBL10472080 0.75 NAPRT (0.53) GAAMEN1KMT2AALDH1A1EPHX1
SCHEMBL5956218 0.73 HDAC1 (0.58) GAAMEN1KMT2AALDH1A1NPSR1
Valeric Acid SCHEMBL28488681 0.73 ALDH1A1 (0.58) GAAMEN1KMT2AALDH1A1NPSR1

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
WO-2001098393-A1 COATING COMPOSITIONS HAVING IMPROVED ADHESION TO ALUMINUM SUBSTRATES BASF CORPORATION (US) 2001-12-27 WO disclosed