SCHEMBL7436196

SCHEMBL7436196

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
PRSS1 P07477 7/20 0.38
TMPRSS15 P98073 7/20 0.38
RXRA P19793 3/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
RARA P10276 2/20 0.36
LMNA P02545 1/20 0.35
PRNP P04156 1/20 0.35
RECQL P46063 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL10725715 1.00 ALDH1A1 (0.43) ALDH1A1HPGDPRSS1TMPRSS15RXRA
SCHEMBL10726013 0.87 ALDH1A1 (0.44) ALDH1A1HPGDPRSS1TMPRSS15RXRA
SCHEMBL9685535 0.87 ALDH1A1 (0.44) ALDH1A1HPGDPRSS1TMPRSS15RXRA
SCHEMBL10731116 0.86 ALDH1A1 (0.40) ALDH1A1HPGDPRSS1TMPRSS15RXRA
SCHEMBL9685368 0.86 ALDH1A1 (0.40) ALDH1A1HPGDPRSS1TMPRSS15RXRA
SCHEMBL10731111 0.81 ALDH1A1 (0.47) ALDH1A1HPGDPRSS1TMPRSS15LMNA
SCHEMBL10731118 0.81 ALDH1A1 (0.47) ALDH1A1HPGDPRSS1TMPRSS15LMNA
SCHEMBL9787295 0.78 ALDH1A1 (0.40) ALDH1A1HPGDPRSS1TMPRSS15RXRA
SCHEMBL10725742 0.78 ALDH1A1 (0.40) ALDH1A1HPGDPRSS1TMPRSS15RXRA
SCHEMBL9683316 0.78 ALDH1A1 (0.46) ALDH1A1HPGDPRSS1TMPRSS15HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399585-A Anitcoagulants, antiinflammatory, antitumor HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
US-5256812-A Antitumor agents, cardiovascular disorders; having amidino or guandino groups HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US disclosed
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5084466-A Anticoagulants, antiinflammatory agents, atheriosclerosis and antitumor agents HOFFMANN-LA ROCHE INC. (US) 1992-01-28 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed
EP-0381033-A1 Carboxylic-acid and sulphonic-acid amides F. HOFFMANN-LA ROCHE AG (CH) 1990-08-08 EP 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