SCHEMBL8979350

SCHEMBL8979350

C=CCC(CC=C)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)CO

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
KIF11 P52732 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7106656 0.78
SCHEMBL8979455 0.74 MEN1 (0.36) KMT2AMEN1KIF11
SCHEMBL8979343 0.72 ALDH1A1 (0.44) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL5505461 0.68 ALDH1A1 (0.36) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL10410715 0.68 TSHR (0.40) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL8979349 0.67 CYP2C19 (0.35) ALDH1A1TSHRHTTMAPTKIF11
Ethylene Glycol SCHEMBL11275979 0.66 KIF11 (0.45) ALDH1A1TSHRKIF11KDM4E
SCHEMBL11430497 0.66 GRIN1 (0.33) ALDH1A1KIF11KDM4E
SCHEMBL901348 0.66 CA1 (0.31)
SCHEMBL6139504 0.65 TSHR (0.50) ALDH1A1TSHRHTTKMT2AMEN1

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-0710225-A1 FLUORESCENCE DETERMINATION OF THE ACTIVITY OF LIPOLYTIC ENZYMES PROGEN Biotechnik GmbH (DE) 1996-05-08 EP disclosed
WO-1995032181-A1 FLUORESCENCE DETERMINATION OF THE ACTIVITY OF LIPOLYTIC ENZYMES PROGEN BIOTECHNIK GMBH (DE) 1995-11-30 WO disclosed