SCHEMBL8749752

SCHEMBL8749752

CCOCCCNS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
ALDH1A1 P00352 9/20 0.58
TSHR P16473 1/20 0.58
KDM4E B2RXH2 2/20 0.55
MAPT P10636 1/20 0.55
LMNA P02545 4/20 0.55
MAPK1 P28482 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
PNMT P11086 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44

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
SCHEMBL8749823 0.91 ALDH1A1 (0.57) GAAALDH1A1TSHRKDM4EMAPT
SCHEMBL29687192 0.84 ALDH1A1 (0.80) GAAALDH1A1TSHRKDM4EMAPT
SCHEMBL6290753 0.84 MAPK1 (0.71) GAAALDH1A1TSHRKDM4EMAPT
SCHEMBL7771789 0.84 GAA (0.78) GAAALDH1A1TSHRKDM4EMAPT
SCHEMBL9308052 0.83 GAA (0.76) GAAALDH1A1TSHRKDM4EMAPT
SCHEMBL4708382 0.82 LMNA (0.55) GAAALDH1A1TSHRKDM4EMAPT
SCHEMBL7771792 0.82 GAA (0.74) GAAALDH1A1TSHRKDM4EMAPT
SCHEMBL9225790 0.81 ALDH1A1 (0.53) GAAALDH1A1TSHRKDM4EMAPT
SCHEMBL9768680 0.80 ALDH1A1 (0.56) ALDH1A1TSHRKDM4ELMNAMAPK1
SCHEMBL11312451 0.80 ALDH1A1 (0.56) ALDH1A1TSHRKDM4ELMNAMAPK1

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-5663386-A REACTION WITH AQUEOUS ALKALINE SOLUTION PRODUCES COLOR WHICH PASSES INTO AQUEOUS PHASE BASF AKTIENGESELLSCHAFT (DE) 1997-09-02 US disclosed
EP-0689575-B1 ANTHRAQUINONES AS MARKING AGENTS FOR MINERAL OILS BASF AG (DE) 1997-02-05 EP disclosed
EP-0689575-A1 ANTHRAQUINONES AS MARKING AGENTS FOR MINERAL OILS BASF AG (DE) 1996-01-03 EP disclosed
WO-1994021752-A1 ANTHRAQUINONES AS MARKING AGENTS FOR MINERAL OILS BASF AKTIENGESELLSCHAFT (DE) 1994-09-29 WO disclosed