SCHEMBL8824434

SCHEMBL8824434

CCCCCCCCCCCCCCCC(=O)OCC(O)CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 0.50
▸ CDC25B P30305 8/20 0.50
▸ SELP P16109 3/20 0.50
▸ VEGFA P15692 2/20 0.49
▸ PTPN2 P17706 5/20 0.47
▸ PTPN6 P29350 4/20 0.47
▸ PTPN11 Q06124 4/20 0.47
▸ NT5E P21589 1/20 0.47
▸ SSTR1 P30872 1/20 0.46
▸ SSTR2 P30874 1/20 0.46
▸ SSTR4 P31391 1/20 0.46
▸ SSTR3 P32745 1/20 0.46
▸ SSTR5 P35346 1/20 0.46
▸ TNF P01375 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
SCHEMBL8998244 0.91 VEGFA (0.48) SELPVEGFATNF
SCHEMBL12380712 0.90 VEGFA (0.50) PTPN1CDC25BSELPVEGFAPTPN2
SCHEMBL12380716 0.88 VEGFA (0.49) PTPN1CDC25BSELPVEGFAPTPN2
SCHEMBL6839245 0.88 VEGFA (0.63) PTPN1CDC25BSELPVEGFATNF
SCHEMBL6930044 0.88 VEGFA (0.63) PTPN1CDC25BSELPVEGFATNF
SCHEMBL7214255 0.88 VEGFA (0.63) PTPN1CDC25BSELPVEGFATNF
SCHEMBL6925828 0.88 VEGFA (0.51) SELPVEGFATNF
SCHEMBL6925831 0.88 VEGFA (0.51) SELPVEGFATNF
SCHEMBL7933032 0.87 NT5E (0.55) PTPN1CDC25BSELPPTPN2PTPN6
SCHEMBL11584750 0.87 NT5E (0.55) PTPN1CDC25BSELPPTPN2PTPN6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5681829-A Class of phosphocholine derivatives having antifungal activity SHAMAN PHARMACEUTICALS, INC. (US) 1997-10-28 — — US disclosed
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