SCHEMBL9763000

SCHEMBL9763000

C/C(=C\CCCc1ccccc1)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
BTN3A1 O00481 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9763004 1.00 LSS (0.44) LSSTDP1BTN3A1SIGMAR1HDAC3
SCHEMBL13393571 0.93 LSS (0.52) LSSBTN3A1SIGMAR1HDAC3MAPK1
SCHEMBL6258245 0.82 TRPV1 (0.49) SIGMAR1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL3090268 0.82 TRPV1 (0.50) LSSTDP1BTN3A1ALDH1A1MEN1
SCHEMBL3090265 0.82 TRPV1 (0.50) LSSTDP1BTN3A1ALDH1A1MEN1
SCHEMBL8624953 0.80 LSS (0.49) LSSTDP1HDAC3MAPK1ADRA1A
SCHEMBL6461471 0.80 LSS (0.40) LSSSIGMAR1HDAC3MAPK1ADRA1A
SCHEMBL6461467 0.80 LSS (0.40) LSSSIGMAR1HDAC3MAPK1ADRA1A
SCHEMBL8624956 0.80 LSS (0.49) LSSTDP1HDAC3MAPK1ADRA1A
SCHEMBL8619950 0.79 ALDH1A1 (0.47) LSSTDP1SIGMAR1HDAC3MAPK1

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