SCHEMBL9685368

SCHEMBL9685368

C/C(=C\C(=O)O)c1ccc(CCC(C)N)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
PRNP P04156 1/20 0.40
RECQL P46063 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
RXRA P19793 5/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
RARA P10276 2/20 0.37
HPGD P15428 3/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HDAC4 P56524 1/20 0.34
PRSS1 P07477 2/20 0.32
TMPRSS15 P98073 2/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32

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
SCHEMBL10731116 1.00 ALDH1A1 (0.40) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL9787295 0.87 ALDH1A1 (0.40) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL10725742 0.87 ALDH1A1 (0.40) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL10725715 0.86 ALDH1A1 (0.43) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL7436196 0.86 ALDH1A1 (0.43) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL10728124 0.82 ALDH1A1 (0.53) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL9684856 0.82 ALDH1A1 (0.53) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL9684860 0.82 ALDH1A1 (0.53) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL9685380 0.79 F2 (0.43) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL9684157 0.79 F2 (0.43) ALDH1A1LMNAPRNPRECQLRXFP1

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 6 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-4988714-A Drugs for treatment of obesity and diabetics, increases protein breakdown, for fattening animals HOFFMANN-LA ROCHE INC. (US) 1991-01-29 US disclosed
US-4800206-A ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1989-01-24 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