SCHEMBL6322286

SCHEMBL6322286

CCCCCCCCCCCCS(=O)(=O)c1ccccc1Oc1ccccc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
RECQL P46063 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SOAT1 P35610 9/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
TBXA2R P21731 1/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL5837264 0.99 EPHX2 (0.46) EPHX2RECQLALDH1A1HTTSOAT1
SCHEMBL5837273 0.99 EPHX2 (0.46) EPHX2RECQLALDH1A1HTTSOAT1
SCHEMBL6926505 0.85 EPHX2 (0.52) EPHX2RECQLALDH1A1HTTCA12
SCHEMBL5837268 0.84 S1PR1 (0.42) EPHX2ALDH1A1HTTSOAT1MEN1
SCHEMBL7791215 0.82 TBXA2R (0.40) TBXA2R
SCHEMBL7791228 0.82 SLC2A1 (0.41) RECQLCA12CA9TBXA2R
SCHEMBL9390895 0.82 THRA (0.51) ALDH1A1MEN1KMT2A
SCHEMBL5364984 0.82 SLC2A1 (0.41) RECQLCA12CA9TBXA2R
SCHEMBL3932742 0.82 SLC2A1 (0.41) RECQLCA12CA9TBXA2R
SCHEMBL7791089 0.82 SLC2A1 (0.41) RECQLCA12CA9TBXA2R

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-6838143-B2 Peelable protective film BASF AKTIENGESELLSCHAFT (DE) 2005-01-04 US disclosed
US-6492451-B1 AQUEOUS DISPERSION OF WATER-INSOLUBLE POLYMER P WHICH HAS PHOSPHONATE GROUPS, AS A BINDER, INORGANIC PIGMENT, WHEREIN WATER-INSOLUBLE POLYMER P IS OBTAINED BY FREE-RADICAL AQUEOUS EMULSION POLYMERIZATION OF ETHYLENICALLY UNSATURATED MONOMERS BASF AKTIENGESELLSCHAFT (DE) 2002-12-10 US disclosed
US-6451899-B1 Aqueous formulations comprising at least two different polymers as aqueous dispersions BASF AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
US-20010041238-A1 Acrylic polymer BASF AKTIENGESELLSCHAFT (DE) 2001-11-15 US disclosed