SCHEMBL3274914

SCHEMBL3274914

C[C@@H](CO)COc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.59
MMP3 P08254 8/20 0.59
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.46
HIF1A Q16665 1/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
HRH3 Q9Y5N1 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
SCHEMBL3274920 1.00 MMP2 (0.59) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL3274873 0.90 MMP2 (0.51) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL3274876 0.90 MMP2 (0.51) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL3275041 0.87 MMP2 (0.54) MMP2MMP3ALDH1A1HPGDMAPT
SCHEMBL3275036 0.87 MMP2 (0.54) MMP2MMP3ALDH1A1HPGDMAPT
SCHEMBL9146899 0.85 MMP2 (0.57) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL21386579 0.85 MMP2 (0.57) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL91873 0.85 MMP2 (0.57) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL10708127 0.83 ALDH1A1 (0.66) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL9924742 0.83 MMP2 (0.61) MMP2MMP3ALDH1A1HPGDKDM4E

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-8562863-B2 Cholesteric glassy liquid crystals with hybrid chiral-nematic mesogens THE UNIVERSITY OF ROCHESTER (US) 2013-10-22 US disclosed
US-20100086704-A1 CHOLESTERIC GLASSY LIQUID CRYSTALS WITH HYBRID CHIRAL-NEMATIC MESOGENS THE UNIVERSITY OF ROCHESTER 2010-04-08 US disclosed