SCHEMBL13854811

SCHEMBL13854811

CCCCC(CC)COC(=O)CCC(=O)Oc1ccc(C)cc1OC(=O)CCC(=O)OCC(CC)CCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.58
▸ TSHR P16473 3/20 0.58
▸ TDP1 Q9NUW8 3/20 0.58
▸ ATM Q13315 1/20 0.58
▸ ALDH1A1 P00352 6/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ CA2 P00918 1/20 0.49
▸ LMNA P02545 4/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ ALOX15 P16050 2/20 0.43
▸ MAPT P10636 1/20 0.41
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TOP2A P11388 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL13854891 0.88 CYP3A4 (0.61) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL13612277 0.84 TSHR (0.60) CYP3A4TSHRTDP1ATMALDH1A1
Toluene SCHEMBL29287380 0.81 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL21887695 0.80 ALDH1A1 (0.81) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL15547746 0.80 ALOX15 (0.58) TSHRTDP1HSD17B10RECQLALOX15
SCHEMBL13612482 0.80 MAPT (0.51) HSD17B10ALOX15MAPTL3MBTL1TOP2A
SCHEMBL44320 0.80 CYP3A4 (0.89) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL14163920 0.80 ALOX15 (0.50) TSHRTDP1ALDH1A1LMNAHSD17B10
SCHEMBL19024824 0.80 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL15558256 0.79 ALOX15 (0.65) TSHRTDP1LMNAHSD17B10RECQL

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-20090118146-A1 IMPREGNATING OIL COMPOSITION FOR SINTERED BEARING, BEARING APPARATUS AND SLIDING MEMBER FUJIFILM CORPORATION (JP) 2009-05-07 — — US disclosed
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