SCHEMBL29944764

SCHEMBL29944764

C=CC(=O)OCCCOCCCOCCCOCCCOCCCOCCCOP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
ALDH1A1 P00352 4/20 0.55
TP53 P04637 3/20 0.55
HIF1A Q16665 3/20 0.55
CYP3A4 P08684 2/20 0.55
HSD17B10 Q99714 1/20 0.55
HPGD P15428 1/20 0.50
LPAR3 Q9UBY5 8/20 0.47
LPAR2 Q9HBW0 6/20 0.47
THRB P10828 2/20 0.42
LPAR1 Q92633 4/20 0.39
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL43198 0.95 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11311462 0.93 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8358973 0.93 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28929818 0.93 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL42087 0.91 TSHR (0.67) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6783959 0.89 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22471730 0.89 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21541953 0.89 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22129975 0.89 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6791404 0.89 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516493-B2 USE OF NETWORK COMPOSITIONS IN COSMETICS OR PERSONAL CARE PRODUCTS MOMENTIVE PERFORMANCE MAT INC (US) 2022-11-16 EP claimed