SCHEMBL4580529

SCHEMBL4580529

O=C(c1ccc(F)cc1)c1ccc(P(=O)(O)O)cc1.[KH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 3/20 0.44
TP53 P04637 2/20 0.44
ALPG P10696 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43

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
SCHEMBL13978726 0.98 LTA4H (0.53) LTA4HCES2CES1LMNASMN1; SMN2
Phosphoric Acid SCHEMBL5148554 0.85 LTA4H (0.61) LTA4HCES2CES1LMNASMN1; SMN2
SCHEMBL1567573 0.85 CA2 (0.55) CES2CES1LMNATSHRCA2
SCHEMBL8572071 0.80 LTA4H (0.73) LTA4HCES2CES1LMNASMN1; SMN2
SCHEMBL1736339 0.80 LTA4H (0.73) LTA4HCES2CES1LMNASMN1; SMN2
SCHEMBL238259 0.80 LTA4H (0.73) LTA4HCES2CES1LMNASMN1; SMN2
SCHEMBL28207628 0.79 CA2 (0.62) CES2CES1LMNANPC1ALDH1A1
Potassium Ion SCHEMBL4580524 0.78 LTA4H (0.50) LTA4HCES2CES1LMNASMN1; SMN2
SCHEMBL29983601 0.78 LTA4H (0.70) LTA4HCES2CES1LMNASMN1; SMN2
SCHEMBL30632245 0.78 LTA4H (0.70) LTA4HCES2CES1LMNASMN1; SMN2

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-7459505-B2 Block copolymers with acidic groups GENERAL MOTORS CORPORATION (US) 2008-12-02 US disclosed
US-20060251969-A1 Block copolymers with acidic groups GM GLOBAL TECHNOLOGY OPERATIONS, INC. (US) 2006-11-09 US disclosed