SCHEMBL2855412

SCHEMBL2855412

CCOC(=O)CCCCc1cc(Br)sc1F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.51
CYP4A11 Q02928 3/20 0.51
GSTP1 P09211 1/20 0.46
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
CYP4Z1 Q86W10 1/20 0.39
ALDH1A1 P00352 2/20 0.39
STING1 Q86WV6 2/20 0.38
TNF P01375 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KAT2B Q92831 1/20 0.37
TBXAS1 P24557 1/20 0.37

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
SCHEMBL2851677 0.87 CYP4F2 (0.52) CYP4F2CYP4A11GSTP1CYP1A2CYP3A4
SCHEMBL2852993 0.86 CYP4F2 (0.54) CYP4F2CYP4A11GSTP1CYP1A2CYP3A4
SCHEMBL2847285 0.85 CYP4F2 (0.50) CYP4F2CYP4A11GSTP1CYP1A2CYP3A4
SCHEMBL2847223 0.85 CYP4F2 (0.50) CYP4F2CYP4A11GSTP1CYP1A2CYP3A4
SCHEMBL1979996 0.84 CYP4F2 (0.52) CYP4F2CYP4A11GSTP1CYP1A2CYP3A4
SCHEMBL21054434 0.84 CYP4F2 (0.52) CYP4F2CYP4A11GSTP1CYP1A2CYP3A4
SCHEMBL2855003 0.83 CYP4F2 (0.51) CYP4F2CYP4A11GSTP1CYP1A2CYP3A4
SCHEMBL2848641 0.83 CYP4F2 (0.51) CYP4F2CYP4A11GSTP1CYP1A2CYP3A4
SCHEMBL5007610 0.81 CYP4F2 (0.48) CYP4F2CYP4A11GSTP1CYP1A2CYP3A4
SCHEMBL2849086 0.77 CYP4F2 (0.50) CYP4F2CYP4A11GSTP1CYP1A2CYP3A4

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