SCHEMBL9331256

SCHEMBL9331256

COC(=O)CCC=CCC=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.49
TSHR P16473 3/20 0.48
OXER1 Q8TDS5 3/20 0.42
ALOX5 P09917 2/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FFAR1 O14842 1/20 0.39
CYP19A1 P11511 1/20 0.39
RXRA P19793 1/20 0.39
PPARG P37231 1/20 0.39
EPHX2 P34913 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL3284068 1.00 AKT1 (0.49) AKT1TSHROXER1ALOX5ALDH1A1
SCHEMBL9188658 0.87 TSHR (0.63) AKT1TSHROXER1ALOX5ALDH1A1
SCHEMBL2401509 0.87 TSHR (0.63) AKT1TSHROXER1ALOX5ALDH1A1
SCHEMBL2401513 0.87 TSHR (0.63) AKT1TSHROXER1ALOX5ALDH1A1
SCHEMBL9975540 0.86 NR1I2 (0.53) TSHROXER1ALOX5ALDH1A1MAPT
SCHEMBL16371434 0.85 TSHR (0.50) AKT1TSHROXER1ALOX5ALDH1A1
SCHEMBL16371432 0.85 TSHR (0.50) AKT1TSHROXER1ALOX5ALDH1A1
SCHEMBL8799477 0.85 TSHR (0.50) AKT1TSHROXER1ALOX5ALDH1A1
SCHEMBL9003288 0.85 ALDH1A1 (0.58) TSHROXER1ALOX5ALDH1A1LMNA
SCHEMBL4444400 0.85 ALDH1A1 (0.58) TSHROXER1ALOX5ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0294757-B1 Process of preparing higher order cuprate complexes SEARLE & CO (US) 1994-04-06 EP disclosed
EP-0294757-A2 Process of preparing higher order cuprate complexes G.D. Searle & Co. (US) 1988-12-14 EP disclosed