SCHEMBL3274873

SCHEMBL3274873

C[C@@H](CO)COc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.51
MMP3 P08254 2/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
HRH3 Q9Y5N1 6/20 0.47
KDM4E B2RXH2 3/20 0.42
PTGER4 P35408 1/20 0.41
SCN9A Q15858 1/20 0.41
SLC22A12 Q96S37 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL3274876 1.00 MMP2 (0.51) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL3274920 0.90 MMP2 (0.59) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL3274914 0.90 MMP2 (0.59) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL13384911 0.88 MMP2 (0.49) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL15335386 0.82 MMP2 (0.50) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL11036527 0.79 CYP11B1 (0.52) MMP2ALDH1A1HPGDHRH3PTGER4
SCHEMBL3275041 0.79 MMP2 (0.54) MMP2MMP3ALDH1A1HPGDMAPT
SCHEMBL3275036 0.79 MMP2 (0.54) MMP2MMP3ALDH1A1HPGDMAPT
SCHEMBL13384916 0.78 MMP2 (0.46) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL9146899 0.77 MMP2 (0.57) MMP2MMP3ALDH1A1HPGDHRH3

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