SCHEMBL29062602

SCHEMBL29062602

CCCCCCCCCCCCOc1ccc(P(c2ccc(OCCCCCCCCCCCC)cc2)c2ccc(OCCCCCCCCCCCC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.63
LTA4H P09960 4/20 0.56
TP53 P04637 2/20 0.56
TSHR P16473 2/20 0.56
PLA2G4B P0C869 5/20 0.54
RARB P10826 3/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
PLA2G4A P47712 1/20 0.49

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
SCHEMBL6288750 1.00 NR5A1 (0.63) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL29062635 1.00 NR5A1 (0.63) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL2238977 0.94 LTA4H (0.55) NR5A1LTA4HTP53TSHRNPC1
SCHEMBL7533420 0.93 LTA4H (0.64) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL11095674 0.87 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL2829024 0.87 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL10943900 0.87 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL1573968 0.87 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL5473083 0.87 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL8936597 0.87 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B

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
CN-116622015-A Application of organic phosphorus compound in preparation of syndiotactic 1, 2-butadiene by iron-based catalyst 青岛科技大学 2023-08-22 CN claimed
CN-116622015-A Application of organic phosphorus compound in preparation of syndiotactic 1, 2-butadiene by iron-based catalyst 青岛科技大学 2023-08-22 CN disclosed