SCHEMBL2549102

SCHEMBL2549102

CCCCCOP(=O)(OCCCCC)ON1CCN(OP(=O)(OCCCCC)OCCCCC)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
LPAR3 Q9UBY5 6/20 0.47
LPAR2 Q9HBW0 5/20 0.47
LPAR1 Q92633 2/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CDC25A P30304 1/20 0.39
AGTR1 P30556 1/20 0.39
AKT1 P31749 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 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
SCHEMBL11370402 0.87 CYP3A4 (0.57) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL8467492 0.87 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL5582947 0.83 CDC25A (0.48) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL3820102 0.81 CYP3A4 (0.90) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL1726022 0.81 CYP3A4 (0.90) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL269196 0.79 CYP3A4 (0.85) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL1296342 0.79 CYP3A4 (0.85) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL18037120 0.79 CYP3A4 (0.85) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL1854894 0.79 CYP3A4 (0.85) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL3812860 0.79 CYP3A4 (0.85) CYP3A4LPAR3LPAR2LPAR1TSHR

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-8039534-B2 Flame-retarder agent for polyester-based fiber, flame retardant polyester-based fiber using the same and method for producing the same NICCA CHEMICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20100311878-A1 FLAME-RETARDER AGENT FOR POLYESTER-BASED FIBER, FLAME RETARDANT POLYESTER-BASED FIBER USING THE SAME AND METHOD FOR PRODUCING THE SAME NICCA CHEMICAL CO., LTD. (JP) 2010-12-09 US disclosed
JP-2006322102-A FLAME-RETARDANT META-ARAMID FIBER STRUCTURE AND METHOD FOR PRODUCING THE SAME TORAY IND INC 2006-11-30 JP disclosed
JP-2006316180-A FLAME RETARDANT COATING SHIKOKU CHEM CORP 2006-11-24 JP disclosed