SCHEMBL444729

SCHEMBL444729

COCCOCCOC(=O)c1ccc(C(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
ABCB11 O95342 1/20 0.59
ADRA2B P18089 1/20 0.59
OPRD1 P41143 1/20 0.59
SCN5A Q14524 1/20 0.59
TSHR P16473 4/20 0.51
ESR1 P03372 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
KDR P35968 1/20 0.46
SERPINE1 P05121 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 3/20 0.44

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
SCHEMBL26007672 1.00 CYP3A4 (0.59) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL26007696 1.00 CYP3A4 (0.59) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL12893231 0.95 CYP3A4 (0.56) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL9918169 0.95 TSHR (0.56) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL14001767 0.95 TSHR (0.56) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL23928020 0.93 ESR1 (0.52) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL9928660 0.93 CYP3A4 (0.66) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL23928021 0.93 ESR1 (0.52) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL23928039 0.93 ESR1 (0.52) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL29333722 0.92 CYP3A4 (0.53) CYP3A4ABCB11ADRA2BOPRD1SCN5A

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-9350046-B2 Physically cross-linked gel electrolyte GM Global Technology Operations LLC (US) 2016-05-24 US disclosed
US-20140023931-A1 PHYSICALLY CROSS-LINKED GEL ELECTROLYTE GM Global Technology Operations LLC (US) 2014-01-23 US disclosed
US-20120062228-A1 PREPARATION OF POLYAMIDE BLOCK COPOLYMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-8063169-B2 Preparation of polyamide block copolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 US disclosed
US-20070293629-A1 PREPARATION OF POLAMIDE BLOCK COPOLYMERS E. I. DU PONT DE NEMOURS AND COMPANY 2007-12-20 US disclosed