SCHEMBL7734071

SCHEMBL7734071

COC(=O)CCc1cc(NC(=O)COC(C)=O)c(OCC2CCCCC2)c(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 7/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
C5AR1 P21730 1/20 0.40
KLK7 P49862 1/20 0.39
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7733919 0.89 THRA (0.45) ALDH1A1TDP1L3MBTL1KMT2AMEN1
SCHEMBL7735292 0.88 C5AR1 (0.47) ALDH1A1TDP1KMT2AMEN1THRA
SCHEMBL7735782 0.85 THRA (0.43) ALDH1A1TDP1L3MBTL1KMT2AMEN1
SCHEMBL7734914 0.83 THRA (0.55) ALDH1A1TDP1KMT2AMEN1THRA
SCHEMBL7725103 0.82 THRA (0.44) ALDH1A1TDP1KMT2AMEN1THRA
SCHEMBL7734115 0.82 THRA (0.54) ALDH1A1TDP1KMT2AMEN1THRA
SCHEMBL7737493 0.82 THRB (0.48) ALDH1A1TDP1KMT2AMEN1THRA
SCHEMBL7725159 0.81 THRA (0.47) ALDH1A1TDP1KMT2AMEN1THRA
SCHEMBL7735851 0.80 THRA (0.42) ALDH1A1TDP1KMT2AMEN1THRA
SCHEMBL7735322 0.79 THRA (0.55) ALDH1A1TDP1KMT2AMEN1THRA

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
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed