SCHEMBL5007610

SCHEMBL5007610

CCOC(=O)CCCc1cc(Br)sc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.48
CYP4A11 Q02928 3/20 0.48
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5 P09917 1/20 0.40
STING1 Q86WV6 2/20 0.40
TNF P01375 2/20 0.40
KAT2B Q92831 1/20 0.40
CYP4Z1 Q86W10 1/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
GSTP1 P09211 1/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39

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 0.95 CYP4F2 (0.54) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL1979996 0.94 CYP4F2 (0.52) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL21054434 0.94 CYP4F2 (0.52) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL17533163 0.91 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL2855421 0.83 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL2855739 0.83 CYP4F2 (0.53) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL350771 0.83 SMN1; SMN2 (0.42) SMN1; SMN2STING1KAT2B
SCHEMBL2848641 0.81 CYP4F2 (0.51) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL2855003 0.81 CYP4F2 (0.51) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C19
SCHEMBL2855412 0.81 CYP4F2 (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442759-B2 Water-soluble polythiophene polymers RIEKE METALS, INC. (US) 2008-10-28 US disclosed
US-7442759-B2 Water-soluble polythiophene polymers RIEKE METALS, INC. (US) 2008-10-28 US disclosed
US-20060264600-A1 WATER-SOLUBLE POLYTHIOPHENE POLYMERS RIEKE METALS, LLC 2006-11-23 US disclosed
WO-2005066243-A1 WATER-SOLUBLE POLYTHIOPHENE POLYMERS RIEKE METALS, INC. (US) 2005-07-21 WO disclosed