SCHEMBL11054692

SCHEMBL11054692

CCCCOC(C)c1ccccc1.CCCOC(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GPR88 Q9GZN0 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ASAH1 Q13510 1/20 0.38
ACER2 Q5QJU3 1/20 0.38
HTT P42858 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL159324 0.96 LTA4H (0.46) LTA4HPOLBALDH1A1GPR88CYP1A2
SCHEMBL14314047 0.96 LTA4H (0.46) LTA4HPOLBALDH1A1GPR88CYP1A2
SCHEMBL2701953 0.92 HTT (0.42) CYP1A2HTTKDM4ELMNASMN1; SMN2
Nitrogen SCHEMBL9571972 0.91 LTA4H (0.42) LTA4HPOLBALDH1A1GPR88CYP1A2
SCHEMBL9774356 0.91 LTA4H (0.46) LTA4HALDH1A1GPR88NPC1LMNA
SCHEMBL10462978 0.89 NPC1 (0.46) LTA4HALDH1A1NPC1LMNARAB9A
SCHEMBL11213967 0.89 NPC1 (0.46) LTA4HALDH1A1NPC1LMNARAB9A
SCHEMBL10441857 0.89 NPC1 (0.46) LTA4HALDH1A1NPC1LMNARAB9A
SCHEMBL27519838 0.89 NPC1 (0.46) LTA4HALDH1A1NPC1LMNARAB9A
Water SCHEMBL27837593 0.89 LTA4H (0.44) LTA4HALDH1A1GPR88NPC1LMNA

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-4459186-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1984-07-10 US disclosed