SCHEMBL7770203

SCHEMBL7770203

O=S(=O)(O)c1c(S(=O)(=O)O)c2ccc3cccc4cc(S(=O)(=O)O)c(c1O)c2c34

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP2D6 P10635 1/20 0.40
CYP1A2 P05177 6/20 0.39
HIF1A Q16665 3/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
CTRB1 P17538 1/20 0.38
CYP2C9 P11712 2/20 0.38
DNASE1L3 Q13609 1/20 0.38
MPL P40238 4/20 0.37
CTRC Q99895 2/20 0.37
ATIC P31939 1/20 0.36
TSHR P16473 1/20 0.36
PTPRA P18433 1/20 0.36
PTPRB P23467 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3690633 0.89 CYP2D6 (0.43) ALDH1A1MAPK1CYP2D6CYP1A2HIF1A
SCHEMBL3261309 0.89 ALDH1A1 (0.41) ALDH1A1MAPK1CYP2D6CYP1A2HIF1A
SCHEMBL304340 0.88 CYP1A2 (0.41) ALDH1A1MAPK1CYP2D6CYP1A2HIF1A
SCHEMBL31030170 0.88 CYP1A2 (0.41) ALDH1A1MAPK1CYP2D6CYP1A2HIF1A
SCHEMBL34463528 0.88 CYP1A2 (0.41) ALDH1A1MAPK1CYP2D6CYP1A2HIF1A
SCHEMBL4752220 0.87 CYP1A2 (0.40) ALDH1A1MAPK1CYP2D6CYP1A2HIF1A
Calcium SCHEMBL31296027 0.87 CYP1A2 (0.40) ALDH1A1MAPK1CYP2D6CYP1A2HIF1A
SCHEMBL4309579 0.87 ALDH1A1 (0.42) ALDH1A1MAPK1CYP2D6CYP1A2HIF1A
SCHEMBL13736402 0.87 MAPK1 (0.41) ALDH1A1MAPK1CYP2D6CYP1A2HIF1A
Water SCHEMBL28838553 0.87 CYP1A2 (0.40) ALDH1A1MAPK1CYP2D6CYP1A2HIF1A

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-0924273-B1 Colour pencil lead FABER CASTELL A W (DE) 2001-06-20 EP claimed
EP-0087060-B1 FLUORESCENT MAKE-UP A.W. Faber - Castell GmbH & Co. (DE) 1986-07-16 EP disclosed
EP-0087060-A2 Fluorescent make-up A.W. Faber - Castell GmbH & Co. (DE) 1983-08-31 EP disclosed