SCHEMBL11799987

SCHEMBL11799987

Cc1ccc(Oc2ccc(CN(C)C(C)(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.44
NR3C1 P04150 1/20 0.43
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
TEAD4 Q15561 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PYCR1 P32322 1/20 0.40
KCNH2 Q12809 1/20 0.39
CYP2C19 P33261 1/20 0.38
LTA4H P09960 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK14 Q16539 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
SCHEMBL13551804 0.89 PYCR1 (0.47) ALDH1A1PYCR1CYP2C19LTA4H
SCHEMBL11791442 0.86 PYCR1 (0.47) NR3C1SLC6A4ALDH1A1MAPTPYCR1
SCHEMBL15471256 0.79 PYCR1 (0.51) ALDH1A1MAPTPYCR1LTA4HMEN1
SCHEMBL11795730 0.77 SLC6A4 (0.48) NR3C1HTR2ASLC6A4ALDH1A1POLB
SCHEMBL17147385 0.73 TEAD4 (0.54) MMP13TEAD4ALDH1A1POLBMAPT
SCHEMBL17886950 0.72 ALDH1A1 (0.56) ALDH1A1TDP1LTA4HMEN1KMT2A
SCHEMBL8250784 0.72 LTA4H (0.43) ALDH1A1POLBTDP1LTA4H
SCHEMBL10013919 0.72 TEAD4 (0.56) MMP13TEAD4ALDH1A1POLBMAPT
SCHEMBL9234713 0.72 TEAD4 (0.56) MMP13TEAD4ALDH1A1POLBMAPT
SCHEMBL19360417 0.72 TEAD4 (0.56) MMP13TEAD4ALDH1A1POLBMAPT

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-3946119-A Optionally substituted α-tertiary butyl-p-phenoxybenzylamines and their use as hypolipidemic agents SANDOZ, INC. (US) 1976-03-23 US disclosed