SCHEMBL11599362

SCHEMBL11599362

CCOC(=O)CC(SOC(=O)CC)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
TSHR P16473 3/20 0.53
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
HSD17B10 Q99714 2/20 0.51
CHRM1 P11229 1/20 0.51
ADORA1 P30542 1/20 0.51
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TRPA1 O75762 1/20 0.36
SOAT1 P35610 1/20 0.34
CYP2D6 P10635 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 2/20 0.31

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
SCHEMBL11601257 0.86 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL715975 0.79 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL13714410 0.79 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL11599368 0.76 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL20239635 0.76 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL11601263 0.74 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL11787140 0.71 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL6661807 0.70 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL1692139 0.70 ALDH1A1 (0.71) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL13864688 0.70 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4ALOX15TDP1

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-RE29523-E Olefinic polymers stabilized with thioacyl trivalent phosphorus compounds BORG-WARNER CORPORATION (US) 1978-01-24 US disclosed