SCHEMBL2855421

SCHEMBL2855421

CCOC(=O)CCCCc1cc(I)sc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
STING1 Q86WV6 2/20 0.39
GSTP1 P09211 1/20 0.39
CYP4Z1 Q86W10 1/20 0.38
MAP3K8 P41279 1/20 0.38
TNF P01375 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TBXAS1 P24557 1/20 0.36
NR1I2 O75469 1/20 0.35

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
SCHEMBL2852993 0.87 CYP4F2 (0.54) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL21054434 0.86 CYP4F2 (0.52) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL1979996 0.86 CYP4F2 (0.52) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL2854866 0.86 CYP4F2 (0.52) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL2850923 0.84 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL2855739 0.84 CYP4F2 (0.53) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL2847285 0.84 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL5007610 0.83 CYP4F2 (0.48) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL2855003 0.82 CYP4F2 (0.51) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL17533163 0.77 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311879-A1 REVERSE ADDITION PROCESS FOR PREPARATION OF REGIOREGULAR CONDUCTING POLYMERS Reike Metals Inc. (US) 2010-12-09 US disclosed
US-20100234478-A1 PROCESS FOR PREPARATION OF CONDUCTING POLYMERS BASE SE (DE) 2010-09-16 US disclosed
EP-2220141-A1 PROCESS FOR PREPARATION OF CONDUCTING POLYMERS Rieke Metals, Inc. (US) 2010-08-25 EP disclosed
US-20100206613-A1 PROCESS FOR PREPARATION OF CONDUCTING POLYMERS BASF SE (DE) 2010-08-19 US disclosed
EP-2203499-A1 PROCESS FOR PREPARATION OF CONDUCTING POLYMERS BASF SE (DE) 2010-07-07 EP disclosed
WO-2009058115-A1 PROCESS FOR PREPARATION OF CONDUCTING POLYMERS RIEKE METALS INC. (US) 2009-05-07 WO disclosed
WO-2009056496-A1 PROCESS FOR PREPARATION OF REGIOREGULAR CONDUCTING BLOCK COPOLYMERS BASF SE (DE) 2009-05-07 WO disclosed
WO-2009056497-A1 REVERSE ADDITION PROCESS FOR PREPARATION OF REGIOREGULAR CONDUCTING POLYMERS BASF SE (DE) 2009-05-07 WO disclosed
WO-2009053468-A1 PROCESS FOR PREPARATION OF CONDUCTING POLYMERS BASF SE (DE) 2009-04-30 WO disclosed