SCHEMBL4536611

SCHEMBL4536611

CCCCCCCCCCCCOC(=O)c1cccc2sc3ccc(C)cc3c(=O)c12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TSHR P16473 4/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 3/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 4/20 0.46
POLB P06746 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40

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
SCHEMBL3248484 0.96 ALDH1A1 (0.51) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL10994411 0.88 ALDH1A1 (0.59) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL10989074 0.88 ALDH1A1 (0.59) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL10988815 0.88 ALDH1A1 (0.59) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL6245881 0.83 TSHR (0.57) ALDH1A1TSHRLMNAMAPK1TP53
SCHEMBL29000291 0.81 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1CYP3A4MEN1
SCHEMBL4536097 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPT
SCHEMBL11070852 0.78 ALDH1A1 (0.46) ALDH1A1TSHRLMNAMAPK1MEN1
SCHEMBL4543672 0.78 ALDH1A1 (0.44) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL11172693 0.77 ALDH1A1 (0.50) ALDH1A1TSHRLMNAMAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638027-B1 LOW-EXTRACTABLE THIOXANTHONES IGM RESINS ITALIA SRL (IT) 2016-07-13 EP disclosed
EP-2638027-B1 LOW-EXTRACTABLE THIOXANTHONES IGM RESINS ITALIA SRL (IT) 2016-07-13 EP disclosed
CN-103209974-B Low-extractable thioxanthones LAMBERTI SPA 2015-04-15 CN disclosed
US-8933142-B2 Low-extractable thioxanthones LAMBERTI SPA (IT) 2015-01-13 US disclosed
US-8933142-B2 Low-extractable thioxanthones LAMBERTI SPA (IT) 2015-01-13 US disclosed
US-8933142-B2 Low-extractable thioxanthones LAMBERTI SPA (IT) 2015-01-13 US disclosed
EP-2638027-A1 LOW-EXTRACTABLE THIOXANTHONES Lamberti SpA (IT) 2013-09-18 EP disclosed
US-20130237628-A1 LOW-EXTRACTABLE THIOXANTHONES IGM RESINS ITALIA S.R.L. (IT) 2013-09-12 US disclosed
US-20130237628-A1 LOW-EXTRACTABLE THIOXANTHONES IGM RESINS ITALIA S.R.L. (IT) 2013-09-12 US disclosed
US-20130237628-A1 LOW-EXTRACTABLE THIOXANTHONES IGM RESINS ITALIA S.R.L. (IT) 2013-09-12 US disclosed
CN-103209974-A Low-extractable thioxanthones LAMBERTI SPA 2013-07-17 CN disclosed
WO-2012062692-A1 LOW-EXTRACTABLE THIOXANTHONES LAMBERTI SPA (IT) 2012-05-18 WO disclosed
WO-2012062692-A1 LOW-EXTRACTABLE THIOXANTHONES LAMBERTI SPA (IT) 2012-05-18 WO disclosed