SCHEMBL9849478

SCHEMBL9849478

CCCCC1(CCCC)OO1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.35
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL16829062 0.94 TSHR (0.33) TSHRLMNATHRB
SCHEMBL10825612 0.88 TSHR (0.39) TSHRLMNATHRBHTT
SCHEMBL19586815 0.85 TSHR (0.37) TSHRLMNATHRBHTT
SCHEMBL3929951 0.79 TSHR (0.37) TSHRLMNATHRBHTT
SCHEMBL9849360 0.79
SCHEMBL9849421 0.77 TSHR (0.42) TSHRLMNATHRBHTTALDH1A1
SCHEMBL7333127 0.77 TSHR (0.42) TSHRLMNATHRBHTTALDH1A1
SCHEMBL14058730 0.77 TSHR (0.42) TSHRLMNATHRBHTTALDH1A1
SCHEMBL4460623 0.73 LMNA (0.32) TSHRLMNA
SCHEMBL8559606 0.71

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