SCHEMBL17044689

SCHEMBL17044689

O=C(O)OC(CO)COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 1/20 0.48
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ TSHR P16473 2/20 0.45
▸ APOBEC3A P31941 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ FOLH1 Q04609 1/20 0.43
▸ TACR1 P25103 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ALDH1A1 P00352 2/20 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
SCHEMBL28538138 0.87 SLC1A1 (0.49) SLC1A1CA1CA2CA7CA9
SCHEMBL28538137 0.87 SLC1A1 (0.49) SLC1A1CA1CA2CA7CA9
SCHEMBL10941766 0.86 SLC1A1 (0.44) SLC1A1CA1CA2CA7CA9
SCHEMBL17786016 0.85 SLC1A1 (0.47) SLC1A1CA1CA2CA7CA9
SCHEMBL8904530 0.81 CA1 (0.51) SLC1A1CA1CA2CA7CA9
SCHEMBL828589 0.81 CA1 (0.51) SLC1A1CA1CA2CA7CA9
SCHEMBL4537628 0.81 CA1 (0.51) SLC1A1CA1CA2CA7CA9
SCHEMBL5839107 0.81 CA1 (0.51) SLC1A1CA1CA2CA7CA9
SCHEMBL28533077 0.80 PPARA (0.46) SLC1A1CA1CA2CA7CA9
SCHEMBL28763879 0.80 PPARA (0.46) SLC1A1CA1CA2CA7CA9

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-9260564-B2 Catalyst for non-isocyanate based polyurethane DOW GLOBAL TECHNOLOGIES LLC (US) 2016-02-16 — — US disclosed
US-20150247004-A1 Catalyst for Non-Isocyanate Based Polyurethane DOW GLOBAL TECHNOLOGIES LLC 2015-09-03 — — US disclosed
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