SCHEMBL679453

SCHEMBL679453

C=Cc1cccc(C)c1.C=Cc1cccc(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
NPC1 O15118 2/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
ACHE P22303 3/20 0.52
PTGS1 P23219 2/20 0.48
PTGS2 P35354 2/20 0.48
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
RELA Q04206 1/20 0.47
FBP1 P09467 1/20 0.47
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL29464940 1.00
SCHEMBL15008 1.00
Ethane SCHEMBL28098812 0.98 TP53 (0.95) TP53TDP1NPC1CASP3SENP8
Benzene SCHEMBL28405057 0.98 TP53 (0.95) TP53TDP1NPC1CASP3SENP8
Butadiene SCHEMBL11588880 0.95 TP53 (0.91) TP53TDP1NPC1CASP3SENP8
Styrene SCHEMBL7641096 0.93 TP53 (0.87) TP53TDP1NPC1CASP3SENP8
Methoxymethane SCHEMBL28665113 0.93 TP53 (0.87) TP53TDP1NPC1CASP3SENP8
SCHEMBL2230915 0.91 TP53 (0.83) TP53TDP1NPC1CASP3SENP8
SCHEMBL7931653 0.91 TP53 (0.83) TP53TDP1NPC1CASP3SENP8
SCHEMBL27801617 0.89 TP53 (0.80) TP53TDP1NPC1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275774-A1 ORGANOANTIMONY COMPOUND, PROCESS FOR PREPARING SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER WITH USE OF SAME, AND THE POLYMER YAMAGO SHIGERU 2011-11-10 US disclosed
US-20060199927-A1 Process for production of living-radical polymers and polymers Outdoor Wireless Networks LLC 2006-09-07 US disclosed