SCHEMBL6532465

SCHEMBL6532465

CCOc1c(C#CCN2CCOc3ccccc32)cccc1OC(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 5/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37
POLB P06746 1/20 0.37
NOTUM Q6P988 1/20 0.36
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL6528363 0.82 MAPT (0.38) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL6509349 0.75 TP53 (0.36) MAPTLMNAKMT2AHPGDTP53
SCHEMBL6681282 0.73 TSHR (0.43) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL6678323 0.71 HTR1A (0.42) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL6507803 0.70 ALDH1A1 (0.40) TSHRKMT2AHPGDTP53ALDH1A1
SCHEMBL6681524 0.69 MAPT (0.47) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL6532464 0.69 PPARA (0.54)
SCHEMBL6531482 0.68 PPARG (0.45) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL5668943 0.67 TSHR (0.44) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL15157526 0.67 KMT2A (0.60) MAPTLMNARXFP1TSHRKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO claimed
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO disclosed