SCHEMBL8018744

SCHEMBL8018744

C=C(C)C(=O)NOP(=O)(O)OCCC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.38
TSHR P16473 2/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
MVD P53602 1/20 0.30
PLA2G2C Q5R387 1/20 0.30

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
SCHEMBL27906097 0.87 BTN3A1 (0.38) BTN3A1MVDPLA2G2C
SCHEMBL28963629 0.86 PPARD (0.33) BTN3A1TSHR
SCHEMBL21522568 0.83 CHRM5 (0.37) BTN3A1TSHR
SCHEMBL28115064 0.77 ALDH1A1 (0.38)
SCHEMBL28638981 0.77 ZDHHC20 (0.35) BTN3A1TSHRLPAR3LPAR1LPAR2
SCHEMBL25232258 0.75 ALDH1A1 (0.32)
SCHEMBL2837030 0.75 BTN3A1 (0.42) BTN3A1MVD
SCHEMBL11311845 0.74 LPAR3 (0.36) BTN3A1LPAR3LPAR1LPAR2MVD
SCHEMBL2836920 0.74 ALDH1A1 (0.37) BTN3A1
SCHEMBL2638491 0.74 TSHR (0.42) BTN3A1TSHRLPAR3LPAR1LPAR2

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
EP-0762197-B1 Photographic recording material AGFA GEVAERT AG (DE) 2000-01-12 EP disclosed
EP-0762197-A1 Photographic recording material Agfa-Gevaert AG (DE) 1997-03-12 EP disclosed