SCHEMBL9684931

SCHEMBL9684931

CC(=O)OC(C)CCc1ccc(C(C)=O)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
PRNP P04156 1/20 0.49
RECQL P46063 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GSK3B P49841 1/20 0.39
TSHR P16473 2/20 0.37
HDAC6 Q9UBN7 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.34
GALR3 O60755 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL9684937 1.00 HPGD (0.49) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL9685251 0.84 HPGD (0.44) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL9685246 0.84 HPGD (0.44) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL9685230 0.81 ALDH1A1 (0.54) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL10732030 0.81 ALDH1A1 (0.54) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL9684860 0.80 ALDH1A1 (0.53) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL10728124 0.80 ALDH1A1 (0.53) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL9684856 0.80 ALDH1A1 (0.53) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL10807142 0.76 ALDH1A1 (0.56) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL10731053 0.75 HPGD (0.41) HPGDALDH1A1LMNAPRNPRECQL

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