SCHEMBL9016841

SCHEMBL9016841

CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)CCCCCCCCCCCCCCCCC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 1/20 0.45
CA2 P00918 3/20 0.44
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1B P28222 1/20 0.44
DGKA P23743 1/20 0.43
MEN1 O00255 1/20 0.43
SLC22A2 O15244 1/20 0.43
TMPRSS2 O15393 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL15987811 1.00 KMT2A (0.57) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL25777943 0.92 THRB (0.54) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31094048 0.91 KMT2A (0.57) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL32684888 0.91 KMT2A (0.57) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL32685014 0.91 KMT2A (0.57) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11526720 0.89 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27652865 0.89 KMT2A (0.55) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5696854 0.88 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL15549028 0.88 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5696715 0.88 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0453010-B1 Copolymer compositions comprising a copolymer and one or more lubricating additives SHELL INT RESEARCH (NL) 1996-06-05 EP disclosed
EP-0453010-A1 Copolymer compositions comprising a copolymer and one or more lubricating additives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-10-23 EP disclosed