SCHEMBL5607243

SCHEMBL5607243

COc1ccc(CC=C=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
ALOX12 P18054 1/20 0.57
IDO1 P14902 5/20 0.47
CMA1 P23946 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA7 P43166 1/20 0.44
AGXT P21549 2/20 0.44
LTA4H P09960 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HTT P42858 1/20 0.43
MIF P14174 1/20 0.43

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
SCHEMBL30450660 0.80 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL190915 0.79 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
1,4-Dimethoxybenzene SCHEMBL9648022 0.78 CA1 (0.65) ALDH1A1CYP3A4CA12CA1CA2
1,4-Dimethoxybenzene SCHEMBL28441075 0.78 CA1 (0.65) ALDH1A1CYP3A4CA12CA1CA2
SCHEMBL161348 0.77 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL8318176 0.77 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL7569322 0.77 IDO1 (0.41) ALDH1A1TP53IDO1CA1CA2
SCHEMBL244069 0.76 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL11437812 0.76 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL11591739 0.76 IDO1 (0.53) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15

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-1781305-A2 COMPOSITIONS AND METHODS USING HYALURONIC ACID AND HYALURONIDASE INHIBITORS ANGIOTECH INTERNATIONAL AG (CH) 2007-05-09 EP disclosed
WO-2006020994-A2 COMPOSITIONS AND METHODS USING HYALURONIC ACID AND HYLURONIDASE INHIBITORS ANGIOTECH INTERNATIONAL AG (CH) 2006-02-23 WO disclosed