Sugi Predict

Sugi Predict / Compounds / SCHEMBL9849353

SCHEMBL9849353

SCHEMBL9849353

CCCCCCC1(CCC)OO1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ HTT P42858 2/20 0.36
▸ DNM1 Q05193 7/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL19586815 0.97 TSHR (0.37) TSHRTHRBHTTDNM1LMNA
SCHEMBL16829062 0.89 TSHR (0.33) TSHRTHRBLMNA
SCHEMBL14058730 0.84 TSHR (0.42) TSHRTHRBHTTDNM1ALDH1A1
SCHEMBL9849421 0.84 TSHR (0.42) TSHRTHRBHTTDNM1ALDH1A1
SCHEMBL7333127 0.84 TSHR (0.42) TSHRTHRBHTTDNM1ALDH1A1
SCHEMBL9849478 0.83 TSHR (0.38) TSHRTHRBHTTALDH1A1LMNA
SCHEMBL3929951 0.81 TSHR (0.37) TSHRTHRBHTTDNM1LMNA
SCHEMBL14779581 0.78 — —
SCHEMBL879924 0.78 — —
SCHEMBL14778009 0.78 — —

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-0453275-A1 Process for producing epoxy compound NIPPON OIL CO. LTD. (JP) 1991-10-23 — — EP claimed
EP-0453275-A1 Process for producing epoxy compound NIPPON OIL CO. LTD. (JP) 1991-10-23 — — EP disclosed