SCHEMBL28181516

SCHEMBL28181516

CCCC(C)SC(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.34
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
POLB P06746 1/20 0.33
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

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
SCHEMBL16235990 0.83 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL27796717 0.78
SCHEMBL18113059 0.78 MGAM (0.43) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL16239335 0.76 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL714717 0.76 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL714716 0.76 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL18113193 0.75 MGAM (0.40) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL19895791 0.74 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL585432 0.73 POLB (0.33) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL18113150 0.73 MGAM (0.39) ALDH1A1LMNAHSD17B10GAAALOX15

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
CN-105189572-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2017-10-17 CN disclosed