Sugi Predict

Sugi Predict / Compounds / SCHEMBL9694729

SCHEMBL9694729

SCHEMBL9694729

C=CCOC(CC=C)(CC=C)C(CO)(CO)COC(=O)c1cc(N)cc(N)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SERPINE1 P05121 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
SCHEMBL9694741 0.84 — —
SCHEMBL5557935 0.74 ALDH1A1 (0.51) NPC1ALDH1A1TSHRHSD17B10SERPINE1
SCHEMBL5095083 0.71 ALDH1A1 (0.51) NPC1ALDH1A1TSHRHSD17B10SERPINE1
SCHEMBL443849 0.71 — —
SCHEMBL9478551 0.67 HIF1A (0.49) NPC1ALDH1A1TSHRHSD17B10SERPINE1
SCHEMBL5108935 0.67 ALDH1A1 (0.46) NPC1ALDH1A1TSHRHSD17B10
SCHEMBL7721922 0.66 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5109264 0.66 ALDH1A1 (0.45) NPC1ALDH1A1TSHRHSD17B10
SCHEMBL5095256 0.66 ALDH1A1 (0.45) NPC1ALDH1A1TSHRHSD17B10
SCHEMBL5095092 0.66 ALDH1A1 (0.45) NPC1ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517002-A2 Diamines and photosensitive polyimides made therefrom OCCIDENTAL CHEMICAL CORPORATION (US) 1992-12-09 — — EP claimed
EP-0517002-A2 Diamines and photosensitive polyimides made therefrom OCCIDENTAL CHEMICAL CORPORATION (US) 1992-12-09 — — EP disclosed