SCHEMBL6478107

SCHEMBL6478107

[CH2]/C(C)=C\c1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
NFE2L2 Q16236 4/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
PKM P14618 1/20 0.50
PLIN1 O60240 1/20 0.50
POLB P06746 1/20 0.50
PLIN5 Q00G26 1/20 0.50
ABHD5 Q8WTS1 1/20 0.50
TFEB P19484 1/20 0.50
TRPA1 O75762 1/20 0.48
TLR2 O60603 1/20 0.47
ERN1 O75460 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
CA1 P00915 2/20 0.46

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
SCHEMBL2046280 0.83 KDM4E (0.56) KDM4EKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL13891035 0.80 GRIN2D (0.54) KDM4EKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL2052380 0.78 NFE2L2 (0.53) KDM4EKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL10515793 0.78 NFE2L2 (0.52) KDM4EKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL30804567 0.78 NFE2L2 (0.53) KDM4EKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL16933853 0.78 NFE2L2 (0.52) KDM4EKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL26608681 0.78 GRIN2D (0.56) KDM4EKMT2AMEN1ALDH1A1NFE2L2
SCHEMBL3303048 0.77 KDM4E (0.54) KDM4EKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL10533217 0.77 KDM4E (0.54) KDM4EKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL11763787 0.77 KDM4E (0.59) KDM4EKMT2AMEN1NFE2L2LMNA

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
WO-2005007162-A1 COMPOUNDS AUGMENTING THE ACTIVITY OF ANTIBACTERIAL AGENTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-01-27 WO claimed