SCHEMBL15216700

SCHEMBL15216700

C=C(O)CC[C@H](C)CCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACE2 Q9BYF1 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
SCHEMBL13679280 0.82
SCHEMBL181688 0.80 TSHR (0.46) TSHRMAPT
SCHEMBL8012334 0.78 TSHR (0.44) TSHRMAPT
SCHEMBL467228 0.78 TSHR (0.44) TSHRMAPT
SCHEMBL439461 0.78 TSHR (0.39) TSHRMAPTCHRM1AKR1A1CHRM3
SCHEMBL14041325 0.77
SCHEMBL17024432 0.75 TSHR (0.46) TSHRMAPTCHRM1AKR1A1CHRM3
SCHEMBL14646595 0.75 RNPEP (0.31)
SCHEMBL301262 0.75 MAPT (0.55) TSHRMAPTCHRM1AKR1A1CHRM3
SCHEMBL1198338 0.75 MAPT (0.55) TSHRMAPTCHRM1AKR1A1CHRM3

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
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed