SCHEMBL9625028

SCHEMBL9625028

CC1(C)OC[C@H]2O[C@H](O)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H](O)[C@@H]2O1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35

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
SCHEMBL9625025 0.84 KMT2A (0.35) KMT2ACA1CA2
SCHEMBL4162965 0.83 ALDH1A1 (0.32) ALDH1A1POLBCA1CA2
SCHEMBL7571242 0.83 ALDH1A1 (0.32) ALDH1A1POLBCA1CA2
SCHEMBL9786210 0.83 ALDH1A1 (0.32) ALDH1A1POLBCA1CA2
SCHEMBL4160816 0.83 ALDH1A1 (0.32) ALDH1A1POLBCA1CA2
SCHEMBL2503399 0.80 KMT2A (0.47) ALDH1A1KMT2ACA1CA2
SCHEMBL12391259 0.80 KMT2A (0.47) ALDH1A1KMT2ACA1CA2
SCHEMBL16367194 0.80 KMT2A (0.47) ALDH1A1KMT2ACA1CA2
SCHEMBL8823006 0.80 KMT2A (0.47) ALDH1A1KMT2ACA1CA2
SCHEMBL16864092 0.80 KMT2A (0.47) ALDH1A1KMT2ACA1CA2

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
EP-0172581-B1 DISACCHARIDE DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1992-05-06 — — EP disclosed
Send feedback