SCHEMBL19040904

SCHEMBL19040904

CCCCOCCCCCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.42
HPGD P15428 1/20 0.42
NR5A1 Q13285 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 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
SCHEMBL19040816 1.00 LTA4H (0.43) LTA4HTSHRALDH1A1RECQLHPGD
SCHEMBL20667097 1.00 LTA4H (0.43) LTA4HTSHRALDH1A1RECQLHPGD
SCHEMBL15715715 0.98 LTA4H (0.44) LTA4HTSHRALDH1A1RECQLHPGD
SCHEMBL15128610 0.93 TSHR (0.45) LTA4HTSHRALDH1A1RECQLHPGD
SCHEMBL19736626 0.89 TSHR (0.45) LTA4HTSHRALDH1A1RECQLHPGD
SCHEMBL1703685 0.87 MEN1 (0.42) MEN1KMT2ATP53
SCHEMBL4650965 0.87 MEN1 (0.42) MEN1KMT2ATP53
SCHEMBL427955 0.87 MEN1 (0.42) MEN1KMT2ATP53
SCHEMBL868174 0.87 MEN1 (0.42) MEN1KMT2ATP53
SCHEMBL837479 0.87 MEN1 (0.42) MEN1KMT2ATP53

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-2017112865-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF AGENTS MODERNATX, INC. (US) 2017-06-29 WO disclosed