SCHEMBL3038602

SCHEMBL3038602

CCOC(=O)CCCCC(Br)(Br)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NR1I2 O75469 1/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PTGS2 P35354 1/20 0.44
PDE4D Q08499 1/20 0.44
GAA P10253 2/20 0.43
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.41
TRPA1 O75762 1/20 0.41

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
SCHEMBL12480501 0.95 CYP1A2 (0.50) CYP1A2CYP4F2CYP4A11ALDH1A1ALOX15
SCHEMBL29291769 0.87 ALDH1A1 (0.45) CYP1A2CYP4F2CYP4A11ALDH1A1ALOX15
SCHEMBL10454671 0.81 CYP1A2 (0.52) CYP1A2CYP4F2CYP4A11ALDH1A1ALOX15
SCHEMBL16860587 0.81 MEN1 (0.56) CYP4F2CYP4A11THRBPKMHTT
SCHEMBL14892057 0.81 CYP4F2 (0.67) CYP1A2CYP4F2CYP4A11ALDH1A1ALOX15
SCHEMBL28110443 0.80 CYP1A2 (0.50) CYP1A2CYP4F2CYP4A11ALDH1A1ALOX15
SCHEMBL27714624 0.79 CYP1A2 (0.53) CYP1A2CYP4F2CYP4A11ALDH1A1ALOX15
SCHEMBL14809522 0.79 CYP4F2 (0.69) CYP1A2CYP4F2CYP4A11ALDH1A1ALOX15
SCHEMBL14890704 0.79 CYP4F2 (0.69) CYP1A2CYP4F2CYP4A11ALDH1A1ALOX15
SCHEMBL8570508 0.78 CYP1A2 (0.73) CYP1A2CYP4F2CYP4A11ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204418-A1 Method for Producing Silane-Modified Copolymers CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2010-08-12 US disclosed