SCHEMBL7194339

SCHEMBL7194339

CCOC(=O)CC(O)CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 6/20 0.41
TRPA1 O75762 1/20 0.41
ALOX15 P16050 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CHRM1 P11229 1/20 0.38
ADORA1 P30542 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL3377964 0.88 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28822197 0.86 GPR84 (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5483236 0.85 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5477958 0.85 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL873010 0.85 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21552000 0.85 GPR84 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21551831 0.85 GPR84 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21551919 0.85 GPR84 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3382909 0.85 GPR84 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1258369 0.84 GAA (0.55) MGAMGAASIMGAM2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013035070-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-03-14 WO disclosed
US-6610638-B1 Reacting acrolein with alcohols, hydrogenating in presence of catalysts and distillating to recover 3-methoxy-1-propanol, used as cleaning compounds or chemical intermediates DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-26 US disclosed
EP-1085003-A1 HIGH-PURITY 1,3-PROPANEDIOL DERIVATIVE SOLVENT, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2001-03-21 EP disclosed
US-4935505-A NUCLEOSIDES; ADENOSINE DEAMINASE INHIBITORS TOWNSEND LEROY B (US) 1990-06-19 US disclosed
US-4223143-A PYRAZOLO-QUINAZOLIN-ONES, CONTROLLING URIC ACID CONCENTRATION, GOUT, XANTHINE OXIDASE SIEGFRIED AKTIENGESELLSCHAFT (CH) 1980-09-16 US disclosed