SCHEMBL11528640

SCHEMBL11528640

C=CC(=O)c1ccoc1CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.47
THRA P10827 6/20 0.41
TP53 P04637 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.37
AKT1 P31749 1/20 0.36
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11531142 0.86 TP53 (0.42) THRBTHRATP53MEN1KMT2A
SCHEMBL12948213 0.79 ALDH1A1 (0.37) TP53MEN1KMT2AALDH1A1LMNA
SCHEMBL11527329 0.77 MAPK1 (0.47) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11853562 0.75 ALDH1A1 (0.35) TP53MEN1KMT2AALDH1A1LMNA
SCHEMBL11853552 0.72 CYP2C19 (0.37) TP53MEN1KMT2AALDH1A1LMNA
SCHEMBL4680084 0.71 ALDH1A1 (0.39) THRBTHRATP53MEN1KMT2A
SCHEMBL18598997 0.69 ALDH1A1 (0.42) TP53MEN1KMT2AALDH1A1LMNA
SCHEMBL28422770 0.69 TSHR (0.53) TP53MEN1KMT2AALDH1A1LMNA
SCHEMBL2905884 0.68 TP53 (0.48) TP53ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL11599007 0.68 THRB (0.45) THRBTHRAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4145366-A ACID CATALYST TEIJIN LIMITED (JP) 1979-03-20 US claimed
US-4145366-A ACID CATALYST TEIJIN LIMITED (JP) 1979-03-20 US disclosed
US-4100180-A PLATINUM OXIDE CATALYST TEIJIN, LIMITED (JP) 1978-07-11 US disclosed