SCHEMBL11038818

SCHEMBL11038818

CCOC(=O)COP(=S)(S)OCC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 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
TSHR P16473 2/20 0.41
HSD17B10 Q99714 3/20 0.38
ALOX15 P16050 2/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM1 P11229 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
SOAT1 P35610 1/20 0.34
NLRP3 Q96P20 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL1873270 0.81 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11039818 0.75 LPAR2 (0.33) ALDH1A1
SCHEMBL5944704 0.74 MGAM (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11039746 0.74 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19512090 0.72 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8683146 0.72 TSHR (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL268312 0.71
SCHEMBL2180851 0.71 TSHR (0.42) GAAALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL13537806 0.71 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5481711 0.69 TSHR (0.60) GAAMGAMSIMGAM2ALDH1A1

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-4436640-A OIL ADDITIVES; EXTREME PRESSURE LUBRICANTS CHEVRON RESEARCH COMPANY (US) 1984-03-13 US claimed