SCHEMBL11277069

SCHEMBL11277069

CCCCCC(c1cccc(OCc2ccccc2)c1)C(C)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MAPK1 P28482 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
ALOX5 P09917 2/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
GMNN O75496 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
MTOR P42345 1/20 0.51

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
SCHEMBL10632490 0.87 MAPK1 (0.64) KMT2AMAPK1SMN1; SMN2MEN1ALOX5
SCHEMBL8903009 0.86 KMT2A (0.63) KMT2AMAPK1SMN1; SMN2MEN1ALOX5
SCHEMBL10662612 0.84 KMT2A (0.57) KMT2AMAPK1SMN1; SMN2MEN1ALOX5
SCHEMBL27674325 0.81 BCHE (0.55) KMT2ASMN1; SMN2MEN1ALOX5CYSLTR2
SCHEMBL4568931 0.79 KMT2A (0.54) KMT2AMAPK1SMN1; SMN2MEN1ALOX5
SCHEMBL16871046 0.79 BCHE (0.53) KMT2ASMN1; SMN2MEN1ALOX5BCHE
SCHEMBL16871064 0.79 BCHE (0.53) KMT2ASMN1; SMN2MEN1ALOX5BCHE
SCHEMBL20604382 0.79 KMT2A (0.62) KMT2AMAPK1SMN1; SMN2MEN1ALOX5
SCHEMBL20604383 0.79 KMT2A (0.62) KMT2AMAPK1SMN1; SMN2MEN1ALOX5
SCHEMBL23923495 0.79 KMT2A (0.61) KMT2AMAPK1SMN1; SMN2MEN1ALOX5

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-4360700-A Intermediates for making 1-(3-benzyloxyphenyl)-1,1-dimethylheptane PFIZER INC. (US) 1982-11-23 US claimed