Sugi Predict

Sugi Predict / Compounds / SCHEMBL7764417

SCHEMBL7764417

SCHEMBL7764417

C=COCCOCCOCCOCCOCCOCCOC=C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL37264 1.00 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL20582128 1.00 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL36823 1.00 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL1538375 1.00 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL143831 1.00 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1AHSD17B10
Water SCHEMBL19548084 0.97 ALDH1A1 (0.36) ALDH1A1TP53TSHRHIF1AHSD17B10
Vinyl Ether SCHEMBL28851112 0.91 ALDH1A1 (0.33) ALDH1A1TP53TSHRHIF1AHSD17B10
Vinyl Ether SCHEMBL28292776 0.91 ALDH1A1 (0.33) ALDH1A1TP53TSHRHIF1AHSD17B10
Vinyl Ether SCHEMBL27337740 0.91 ALDH1A1 (0.33) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL34509 0.89 — —

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
JP-2001040050-A ACTIVATING ENERGY BEAM-CURING COMPOSITION MATSUI KAGAKU KK 2001-02-13 — — JP disclosed