SCHEMBL29978504

SCHEMBL29978504

O=P(O)(O)CCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.41
LPAR2 Q9HBW0 1/20 0.41
TYMS P04818 1/20 0.39
LPAR1 Q92633 1/20 0.35
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
BBOX1 O75936 1/20 0.31
GRM4 Q14833 1/20 0.31
S1PR2 O95136 5/20 0.31
S1PR4 O95977 5/20 0.31
S1PR1 P21453 5/20 0.31
S1PR3 Q99500 5/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL5050932 1.00 LPAR3 (0.41) LPAR3LPAR2TYMSLPAR1LMNA
SCHEMBL24840643 1.00 LPAR3 (0.41) LPAR3LPAR2TYMSLPAR1LMNA
SCHEMBL29977629 1.00 LPAR3 (0.41) LPAR3LPAR2TYMSLPAR1LMNA
SCHEMBL5049727 0.98 LPAR3 (0.42) LPAR3LPAR2TYMSLPAR1LMNA
SCHEMBL3821196 0.98 LPAR3 (0.42) LPAR3LPAR2TYMSLPAR1LMNA
SCHEMBL5051999 0.98 LPAR3 (0.42) LPAR3LPAR2TYMSLPAR1LMNA
SCHEMBL5050909 0.98 LPAR3 (0.42) LPAR3LPAR2TYMSLPAR1LMNA
SCHEMBL5051989 0.96 TYMS (0.42) LPAR3LPAR2TYMSLPAR1LMNA
SCHEMBL1824606 0.84 GRM4 (0.40) TYMSLMNACYP3A4NFKB1BLM
SCHEMBL20983826 0.84 GRM4 (0.40) TYMSLMNACYP3A4NFKB1BLM

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
WO-2022161800-A1 CORE-SHELL PARTICLE HALIK MARCUS (DE) 2022-08-04 WO disclosed