SCHEMBL269761

SCHEMBL269761

O=P(O)(O)C1CCCCC1.O=P(O)(O)C1CCCCC1.OCC(CO)(CO)CO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.41
MMP2 P08253 6/20 0.34
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
MMP1 P03956 3/20 0.34
MMP8 P22894 3/20 0.34
MMP3 P08254 2/20 0.34
MMP9 P14780 1/20 0.34
FDPS P14324 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ANPEP P15144 2/20 0.32
ERAP2 Q6P179 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL18261806 0.85 MMP2 (0.41) METAP1MMP2CA12CA1CA2
SCHEMBL11409118 0.85 MMP2 (0.41) METAP1MMP2CA12CA1CA2
SCHEMBL28446283 0.85 MMP2 (0.41) METAP1MMP2CA12CA1CA2
SCHEMBL18261819 0.85 MMP2 (0.41) METAP1MMP2CA12CA1CA2
SCHEMBL585039 0.85 MMP2 (0.41) METAP1MMP2CA12CA1CA2
Hydrochloric Acid SCHEMBL9903266 0.83 MMP2 (0.39) METAP1MMP2CA12CA1CA2
SCHEMBL11314755 0.83 MMP2 (0.39) METAP1MMP2CA12CA1CA2
SCHEMBL30234892 0.83 MMP2 (0.39) METAP1MMP2CA12CA1CA2
SCHEMBL3481359 0.83
SCHEMBL18207894 0.77

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-8133835-B2 Molecular weight controllable, high 1,4-trans polybutadiene catalyst system KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-03-13 US disclosed
US-20100261847-A1 MOLECULAR WEIGHT CONTROLLABLE, HIGH 1,4-TRANS POLYBUTADIENE CATALYST SYSTEM KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2010-10-14 US disclosed