Sugi Predict

Sugi Predict / Compounds / SCHEMBL986943

SCHEMBL986943

SCHEMBL986943

CN1C(C)(C)CC(OC(=O)CC(O)(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 2/20 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
SCHEMBL985332 0.88 GAA (0.40) KMT2AGAATSHR
SCHEMBL987583 0.88 TSHR (0.34) KMT2AMEN1GAATSHR
SCHEMBL987116 0.84 ALDH1A1 (0.42) KMT2ATSHR
SCHEMBL3799938 0.81 TSHR (0.32) KMT2AMEN1GAATSHR
SCHEMBL987428 0.80 GAA (0.43) GAA
SCHEMBL10078451 0.80 TSHR (0.31) KMT2ATSHR
Suxemerid SCHEMBL2779070 0.79 SMN1; SMN2 (0.39) KMT2AMEN1GAATSHR
SCHEMBL537637 0.79 KMT2A (0.35) KMT2AMEN1GAATSHR
SCHEMBL24313495 0.78 MEN1 (0.33) KMT2AMEN1GAATSHR
SCHEMBL11455805 0.77 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 — — US claimed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 — — WO claimed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 — — WO disclosed