SCHEMBL4169644

SCHEMBL4169644

OC[C@@H](O)[C@H](O)COCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
CA1 P00915 4/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
TSHR P16473 2/20 0.52
TACR1 P25103 4/20 0.49
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.45
SLC1A1 P43005 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 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
SCHEMBL9725029 1.00 KMT2A (0.58) KMT2ACA1CA2CA7CA9
SCHEMBL13595511 1.00 KMT2A (0.58) KMT2ACA1CA2CA7CA9
SCHEMBL4382418 0.92 CA1 (0.66) KMT2ACA1CA2CA7CA9
SCHEMBL4385964 0.92 CA1 (0.66) KMT2ACA1CA2CA7CA9
SCHEMBL93709 0.92 CA1 (0.66) KMT2ACA1CA2CA7CA9
SCHEMBL93708 0.92 CA1 (0.66) KMT2ACA1CA2CA7CA9
SCHEMBL10587310 0.89 CA1 (0.54) KMT2ACA1CA2CA7CA9
SCHEMBL13595470 0.89 CA1 (0.54) KMT2ACA1CA2CA7CA9
SCHEMBL13595479 0.89 CA1 (0.54) KMT2ACA1CA2CA7CA9
SCHEMBL13108196 0.89 CA1 (0.54) KMT2ACA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188026-B2 Liquid treatment composition THE PROCTER & GAMBLE COMPANY (US) 2012-05-29 US claimed
US-20090069206-A1 LIQUID TREATMENT COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2009-03-12 US claimed
EP-1999243-A2 LIQUID TREATMENT COMPOSITION The Procter and Gamble Company (US) 2008-12-10 EP claimed
WO-2007111898-A2 LIQUID TREATMENT COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 WO claimed
US-5118448-A Process for producing esterified alkoxylated polyols ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1992-06-02 US disclosed