SCHEMBL12857049

SCHEMBL12857049

O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCN=C=S)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.62
ADORA3 P0DMS8 1/20 0.58
ALDH1A1 P00352 6/20 0.56
LMNA P02545 3/20 0.56
TSHR P16473 3/20 0.56
BLM P54132 3/20 0.56
THRB P10828 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP3A4 P08684 2/20 0.53
MAPT P10636 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
HTR1A P08908 1/20 0.53
NFKB1 P19838 1/20 0.53
CNR1 P21554 1/20 0.53
ADRA1A P35348 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ATM Q13315 1/20 0.50

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
SCHEMBL9102046 0.81 PPARG (0.69) PPARGADORA3ALDH1A1LMNATSHR
SCHEMBL28407544 0.80 ATM (0.76) PPARGADORA3ALDH1A1LMNATSHR
SCHEMBL11881278 0.80 PPARG (0.67) PPARGADORA3ALDH1A1LMNATSHR
SCHEMBL13847974 0.79 PPARG (0.64) PPARGADORA3ALDH1A1LMNATSHR
SCHEMBL28407181 0.78 PPARG (0.76) PPARGADORA3ALDH1A1LMNATSHR
SCHEMBL28905340 0.77 PPARG (0.64) PPARGADORA3ALDH1A1LMNATSHR
SCHEMBL27513111 0.76 PPARG (1.00) PPARGADORA3ALDH1A1LMNATSHR
SCHEMBL11874263 0.76 PPARG (0.69) PPARGADORA3ALDH1A1LMNATSHR
SCHEMBL24162709 0.76 PPARG (0.65) PPARGADORA3ALDH1A1LMNATSHR
SCHEMBL12869021 0.75 PPARG (0.67) PPARGADORA3ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110040057-A1 LIGAND-COUPLED INITIATOR POLYMERS AND METHODS OF USE Surmodics Coatings, LLC 2011-02-17 US disclosed
US-20110040057-A1 LIGAND-COUPLED INITIATOR POLYMERS AND METHODS OF USE Surmodics Coatings, LLC 2011-02-17 US disclosed
US-7820158-B2 Ligand-coupled initiator polymers and methods of use SURMODICS, INC. (US) 2010-10-26 US disclosed
US-7820158-B2 Ligand-coupled initiator polymers and methods of use SURMODICS, INC. (US) 2010-10-26 US disclosed
EP-1613749-B1 LIGAND-COUPLED INITIATOR POLYMERS AND METHODS OF USE SURMODICS INC (US) 2010-07-07 EP disclosed