SCHEMBL9685535

SCHEMBL9685535

C/C(=C\C(=O)O)c1ccc(CC(C)O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
PRSS1 P07477 7/20 0.36
TMPRSS15 P98073 7/20 0.36
LMNA P02545 1/20 0.36
PRNP P04156 1/20 0.36
RECQL P46063 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RXRA P19793 3/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
RARA P10276 2/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL10726013 1.00 ALDH1A1 (0.44) ALDH1A1HPGDPRSS1TMPRSS15LMNA
SCHEMBL7436196 0.87 ALDH1A1 (0.43) ALDH1A1HPGDPRSS1TMPRSS15LMNA
SCHEMBL10725715 0.87 ALDH1A1 (0.43) ALDH1A1HPGDPRSS1TMPRSS15LMNA
SCHEMBL10725742 0.85 ALDH1A1 (0.40) ALDH1A1HPGDPRSS1TMPRSS15LMNA
SCHEMBL9787295 0.85 ALDH1A1 (0.40) ALDH1A1HPGDPRSS1TMPRSS15LMNA
SCHEMBL9685027 0.80 ALDH1A1 (0.49) ALDH1A1HPGDPRSS1TMPRSS15LMNA
SCHEMBL9685022 0.80 ALDH1A1 (0.49) ALDH1A1HPGDPRSS1TMPRSS15LMNA
SCHEMBL10728228 0.80 ALDH1A1 (0.49) ALDH1A1HPGDPRSS1TMPRSS15LMNA
SCHEMBL10731116 0.78 ALDH1A1 (0.40) ALDH1A1HPGDPRSS1TMPRSS15LMNA
SCHEMBL9685368 0.78 ALDH1A1 (0.40) ALDH1A1HPGDPRSS1TMPRSS15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed
US-4652679-A Aziridine and phenethanolamine derivatives having antiobesity and anti-hyperglycaemic acitivity HOFFMANN-LA ROCHE INC. (US) 1987-03-24 US disclosed
US-4585796-A HYPOGLYCEMIC, ANTI-OBESITY HOFFMANN-LA ROCHE INC. (US) 1986-04-29 US disclosed