SCHEMBL8008322

SCHEMBL8008322

OCCOCC(O)C(O)COCCO

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL5158290 0.91 TSHR (0.47) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL7736939 0.91 TSHR (0.47) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL3895145 0.87 MEN1 (0.55) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL11593290 0.87 TSHR (0.43) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL1161497 0.84 LMNA (0.52) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL27580020 0.84 LMNA (0.52) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL9353888 0.84 TSHR (0.41) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL350840 0.84 TSHR (0.53) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL6666676 0.84
SCHEMBL11217212 0.83 MEN1 (0.50) TSHRMAPK1MEN1KMT2AALDH1A1

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
EP-1051446-A1 ISOINDOLINE PIGMENT HAVING IMPROVED LOW SHEAR DISPERSIBILITY Ciba SC Holding AG (CH) 2000-11-15 EP disclosed
US-6143067-A Isoindoline pigment having improved low shear dispersibility CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-11-07 US disclosed
WO-1999038920-A1 ISOINDOLINE PIGMENT HAVING IMPROVED LOW SHEAR DISPERSIBILITY CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-08-05 WO disclosed