SCHEMBL6515451

SCHEMBL6515451

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL820658 1.00 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10POLBALOX15
Alcohol SCHEMBL29062661 0.95 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10POLBALOX15
SCHEMBL27724226 0.86 GPR84 (0.48) ALDH1A1LMNAHSD17B10TDP1CYP3A4
SCHEMBL309000 0.86 GPR84 (0.48) ALDH1A1LMNAHSD17B10TDP1CYP3A4
SCHEMBL3019408 0.85 MGAM (0.43) ALDH1A1LMNAHSD17B10POLBMGAM
SCHEMBL3019389 0.84 GPR84 (0.57) NFKB1GPR84FFAR1
SCHEMBL4644432 0.83
SCHEMBL4714979 0.83 HDAC1 (0.39) ALDH1A1LMNACHRM1AKR1A1CHRM3
SCHEMBL17080322 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10POLBALOX15
SCHEMBL27896646 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10POLBALOX15

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-20050191735-A1 Oxidoreductase IEP GMBH (DE) 2005-09-01 US disclosed