SCHEMBL9681333

SCHEMBL9681333

C=C(/C=C/OC(=O)N(C)C)OCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
SOAT1 P35610 1/20 0.30
CA12 O43570 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
SCHEMBL9681335 1.00 CHRNB2 (0.33) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL14113447 0.75 ALDH1A1 (0.33) HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL25674303 0.71 ALDH1A1 (0.41) HCAR2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL1201195 0.69
SCHEMBL23106806 0.69 CYP2C9 (0.32) HCAR2ALDH1A1CYP2C9
SCHEMBL4895205 0.69 HCAR2 (0.61) HCAR2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL8388073 0.69 HCAR2 (0.61) HCAR2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL17300570 0.69 HCAR2 (0.61) HCAR2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL4899159 0.69 HCAR2 (0.61) HCAR2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL4894320 0.69 HCAR2 (0.61) HCAR2ALDH1A1TSHRLMNAHSD17B10

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
US-5155240-A Process for producing optically active dihydropyran derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-10-13 US disclosed