SCHEMBL11599368

SCHEMBL11599368

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
ALOX15 P16050 3/20 0.54
CYP3A4 P08684 2/20 0.54
TSHR P16473 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HSD17B10 Q99714 2/20 0.53
CHRM1 P11229 1/20 0.53
ADORA1 P30542 1/20 0.53
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 2/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
SOAT1 P35610 1/20 0.35
CYP2D6 P10635 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.32

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
SCHEMBL11601263 0.83 ALDH1A1 (0.56) ALDH1A1ALOX15CYP3A4TSHRTDP1
SCHEMBL715975 0.80 ALDH1A1 (0.61) ALDH1A1ALOX15CYP3A4TSHRTDP1
SCHEMBL6661807 0.79 ALDH1A1 (0.54) ALDH1A1ALOX15CYP3A4TSHRTDP1
SCHEMBL20239635 0.77 ALDH1A1 (0.57) ALDH1A1ALOX15CYP3A4TSHRTDP1
SCHEMBL11599362 0.76 ALDH1A1 (0.53) ALDH1A1ALOX15CYP3A4TSHRTDP1
SCHEMBL11788353 0.76 ALDH1A1 (0.51) ALDH1A1ALOX15CYP3A4TSHRTDP1
SCHEMBL11601257 0.73 ALDH1A1 (0.53) ALDH1A1ALOX15CYP3A4TSHRTDP1
SCHEMBL11787140 0.73 ALDH1A1 (0.53) ALDH1A1ALOX15CYP3A4TSHRTDP1
SCHEMBL13714410 0.73 ALDH1A1 (0.53) ALDH1A1ALOX15CYP3A4TSHRTDP1
SCHEMBL11172402 0.73 ALDH1A1 (0.49) ALDH1A1ALOX15CYP3A4TSHRTDP1

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