Sugi Predict

Sugi Predict / Compounds / SCHEMBL6470211

SCHEMBL6470211

SCHEMBL6470211

CC(ON1C(C)(C)CC2(CC1(C)C)OCC(C)(C)CO2)c1ccc(OCC(O)C(C(C(O)COc2ccc(C(C)ON3C(C)(C)CC4(CC3(C)C)OCC(C)(C)CO4)cc2)N(C)C)N(C)C)cc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL6088132 0.86 HIF1A (0.41) KMT2AMAPK1
SCHEMBL6087774 0.83 MAPT (0.41) KMT2AMAPK1
SCHEMBL6087501 0.82 KMT2A (0.48) KMT2AMAPK1
SCHEMBL6089141 0.81 KMT2A (0.54) KMT2A
SCHEMBL12387763 0.81 ACACB (0.36) —
SCHEMBL974405 0.78 ALDH1A1 (0.39) KMT2A
SCHEMBL976664 0.77 HSD11B1 (0.32) —
SCHEMBL975149 0.77 LMNA (0.34) KMT2AMAPK1
SCHEMBL13715800 0.75 HSD11B1 (0.31) —
SCHEMBL12922174 0.71 ALDH1A1 (0.39) KMT2A

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-20050079455-A1 Colour photographic recording material CIBA SPECIALTY CHEMICALS CORP. 2005-04-14 — — US disclosed