SCHEMBL6938342

SCHEMBL6938342

CCCC(c1ccc(S(=O)(=O)O)cc1)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NT5E P21589 1/20 0.39
CA2 P00918 10/20 0.39
CA1 P00915 9/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA7 P43166 2/20 0.37
CA14 Q9ULX7 2/20 0.37
NR1I2 O75469 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL3129668 0.82 FPR2 (0.41) ALDH1A1CA2CA1MMP2MMP9
SCHEMBL3139379 0.82 SLC6A3 (0.38) CA2CA1MMP2MMP9TDP1
SCHEMBL3129710 0.82 MMP2 (0.48) LMNATSHRALDH1A1MMP2MMP9
SCHEMBL3139482 0.82 ALDH1A1 (0.41) LMNAALDH1A1
SCHEMBL25478361 0.81 NR1I2 (0.45) LMNATSHRALDH1A1NT5ECA2
SCHEMBL3141262 0.81 SRC (0.50) LMNAALDH1A1CA2CA1SMN1; SMN2
SCHEMBL14255152 0.80 CA2 (0.44) LMNATSHRALDH1A1NT5ECA2
SCHEMBL13641262 0.79 NR1I2 (0.54) LMNATSHRALDH1A1NT5ECA2
SCHEMBL9650409 0.79 CHRM1 (0.33) CA2CA1MMP2MMP9SMN1; SMN2
SCHEMBL11873684 0.78 SLC6A4 (0.32) CA2CA1MMP2MMP9TDP1

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-1292997-A2 THERMAL TREATMENT OF SOLUTION-PROCESSED ORGANIC ELECTROACTIVE LAYER IN ORGANIC ELECTRONIC DEVICE DuPont Displays, Inc. (US) 2003-03-19 EP disclosed
WO-2001099208-A2 THERMAL TREATMENT OF SOLUTION-PROCESSED ORGANIC ELECTROACTIVE LAYER IN ORGANIC ELECTRONIC DEVICE DUPONT DISPLAYS, INC. (US) 2001-12-27 WO disclosed