SCHEMBL4823069

SCHEMBL4823069

C=C(C)CCCCP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.50
LPAR2 Q9HBW0 1/20 0.50
TYMS P04818 1/20 0.50
BBOX1 O75936 2/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
BTN3A1 O00481 1/20 0.39
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL2454398 0.93 TYMS (0.52) LPAR3LPAR2TYMSBBOX1LMNA
SCHEMBL2454026 0.82
SCHEMBL15305182 0.78 TYMS (0.52) LPAR3LPAR2TYMSBBOX1LMNA
Phosphoric Acid SCHEMBL5963312 0.76 LPAR3 (0.44) LPAR3LPAR2ALDH1A1TDP1
SCHEMBL20235 0.76 TYMS (0.85) LPAR3LPAR2TYMSBBOX1LMNA
SCHEMBL7116355 0.76 HSD17B10 (0.44) TDP1BTN3A1
SCHEMBL28638141 0.74 LPAR3 (0.54) LPAR3LPAR2TYMSBBOX1LMNA
SCHEMBL165115 0.73 TYMS (0.46) LPAR3LPAR2TYMSBBOX1LMNA
SCHEMBL4820868 0.73 GABBR2 (0.54) LPAR3LPAR2BTN3A1
SCHEMBL767546 0.73 TYMS (0.79) LPAR3LPAR2TYMSBBOX1LMNA

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
WO-2008120854-A1 FLAMEPROOF COPOLYMER AND FLAME RETARDANT THERMOPLASTIC RESIN COMPOSITION USING THEREOF CHEIL INDUSTRIES INC. (KR) 2008-10-09 WO disclosed
US-20080242795-A1 Flameproof Copolymer and Flame Retardant Thermoplastic Resin Composition Including the Same CHEIL INDUSTRIES INC. (KR) 2008-10-02 US disclosed