SCHEMBL4722628

SCHEMBL4722628

CCCCOCCC(=O)OC1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 1/20 0.42
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.39
CYP19A1 P11511 2/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL3824784 0.98 NAAA (0.71) NAAASMN1; SMN2EPHX1HTTALDH1A1
SCHEMBL20210498 0.91 NAAA (0.62) NAAASMN1; SMN2EPHX1HTTALDH1A1
SCHEMBL17908571 0.90 NAAA (0.73) NAAASMN1; SMN2EPHX1HTTALDH1A1
SCHEMBL17908882 0.90 NAAA (0.73) NAAASMN1; SMN2EPHX1HTTALDH1A1
SCHEMBL17909406 0.90 NAAA (0.73) NAAASMN1; SMN2EPHX1HTTALDH1A1
SCHEMBL20210659 0.90 NAAA (0.63) NAAASMN1; SMN2EPHX1HTTALDH1A1
SCHEMBL20210516 0.90 NAAA (0.63) NAAASMN1; SMN2EPHX1HTTALDH1A1
SCHEMBL20210442 0.86 NAAA (0.70) NAAASMN1; SMN2EPHX1HTTALDH1A1
SCHEMBL7680176 0.86 NAAA (0.59) NAAASMN1; SMN2EPHX1HTTALDH1A1
SCHEMBL4978860 0.85 NAAA (0.86) NAAASMN1; SMN2EPHX1HTTALDH1A1

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
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed