Sugi Predict

Sugi Predict / Compounds / SCHEMBL7633706

SCHEMBL7633706

SCHEMBL7633706

CC(C)(C)COC(=O)OOC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL6861367 0.86 HSD17B10 (0.36) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL4653740 0.86 TSHR (0.35) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL847096 0.86 SERPINE1 (0.36) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL632730 0.85 CYP2C19 (0.36) ALDH1A1HSD17B10CYP2C19KMT2A
SCHEMBL11647650 0.81 ALDH1A1 (0.32) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL11647640 0.81 ALDH1A1 (0.32) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL6863766 0.81 ALDH1A1 (0.36) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL6864237 0.81 ALDH1A1 (0.32) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL6862192 0.81 ALDH1A1 (0.32) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL320682 0.80 ALDH1A1 (0.45) ALDH1A1HSD17B10CYP2C19KMT2A

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-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 — — EP disclosed