SCHEMBL9761641

SCHEMBL9761641

CCCCCCCCC/C=C(\C)CO

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.48
BTN3A1 O00481 3/20 0.43
TSHR P16473 4/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL16892608 1.00 EP300 (0.48) EP300BTN3A1TSHRLMNAMEN1
SCHEMBL9762997 1.00 EP300 (0.48) EP300BTN3A1TSHRLMNAMEN1
SCHEMBL9761645 1.00 EP300 (0.48) EP300BTN3A1TSHRLMNAMEN1
SCHEMBL9763002 1.00 EP300 (0.48) EP300BTN3A1TSHRLMNAMEN1
SCHEMBL28109299 1.00 EP300 (0.48) EP300BTN3A1TSHRLMNAMEN1
SCHEMBL16892607 1.00 EP300 (0.48) EP300BTN3A1TSHRLMNAMEN1
SCHEMBL7934301 0.98 BTN3A1 (0.45) EP300BTN3A1TSHRLMNAMEN1
SCHEMBL7934302 0.98 BTN3A1 (0.45) EP300BTN3A1TSHRLMNAMEN1
SCHEMBL8473356 0.90
SCHEMBL8473354 0.90

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
US-5004843-A Reacting A Vinyl Epoxide With An Organolithium Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-02 US disclosed
EP-0029603-B1 PROCESS FOR PREPARING PREDOMINANTLY Z-SUBSTITUTED ALLYLIC ALCOHOLS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-06-13 EP disclosed