SCHEMBL9416993

SCHEMBL9416993

CCCCP(=O)(O)OCCCNC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.59
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 1/20 0.54
TGM2 P21980 1/20 0.50
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 1/20 0.46
FAAH O00519 1/20 0.45

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
SCHEMBL13725441 0.86 HTT (0.59) CETPHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL9336275 0.86 HTT (0.59) CETPHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL8197973 0.85 HTT (0.58) HTTL3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL24486768 0.85 HTT (0.63) HTTL3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL1667805 0.83 HTT (0.72) HTTL3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL1442202 0.83 LMNA (0.56) CETPHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL8190950 0.82 HTT (0.56) HTTL3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL9336327 0.82 CETP (0.60) CETPHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL8290406 0.82 HTT (0.70) HTTL3MBTL1LMNASMN1; SMN2MAPT
Ammonia Solution, Strong SCHEMBL10743947 0.82 HTT (0.70) HTTL3MBTL1LMNASMN1; SMN2MAPT

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-5300679-A Antagonists to 4-aminobutyric acid CIBA-GEIGY CORPORATION (US) 1994-04-05 US disclosed