SCHEMBL9761487

SCHEMBL9761487

CCN(CC)C(=O)c1ccc(CCCCOS(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RCE1 Q9Y256 1/20 0.46
HPGD P15428 3/20 0.44
MLYCD O95822 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL9760390 0.81 PDE4A (0.47) ALDH1A1LMNA
SCHEMBL8732251 0.80 CYP4A11 (0.63) ALDH1A1MAPTLMNARAB9AHPGD
SCHEMBL1794739 0.79 CYP4A11 (0.61) ALDH1A1MAPTLMNARAB9AHPGD
SCHEMBL9040138 0.78 RARB (0.53) ALDH1A1MAPTLMNARCE1MEN1
SCHEMBL10488145 0.78 THRA (0.49) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL9763439 0.78 THRA (0.49) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL3185726 0.77 THRA (0.61) ALDH1A1MAPTMEN1KMT2A
SCHEMBL9761148 0.77 CYP4A11 (0.58) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL2399439 0.77 THRA (0.61) ALDH1A1MAPTMEN1KMT2A
SCHEMBL9720181 0.77 CA12 (0.45) ALDH1A1LMNA

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-4990664-A Drug for asthma or chronic bronchitis GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed
EP-0303466-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP disclosed