SCHEMBL7360392

SCHEMBL7360392

CCOc1cccc(C=O)c1OC(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
TLR2 O60603 1/20 0.41
ERN1 O75460 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.39
ATM Q13315 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL20108986 0.87 ALDH1A1 (0.42) SRCALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL18124583 0.85 ALDH1A1 (0.43) SRCALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL15330607 0.85 KMT2A (0.43) SRCALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL5562717 0.83 PTGDR2 (0.41) SRCALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL2553823 0.83 KMT2A (0.42) SRCALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL11684737 0.83 SRC (0.59) SRCALDH1A1HPGDTLR2ERN1
SCHEMBL181586 0.82 ALDH1A1 (0.50) SRCALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL29922833 0.82 ALDH1A1 (0.50) SRCALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL15331030 0.81 KMT2A (0.40) SRCALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL2561677 0.80 SMN1; SMN2 (0.43) SRCALDH1A1SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385922-A Cardiovascular and gastrointestinal disorders; antiischemic and cardiotonic agents CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-31 US disclosed
US-5378718-A Cardiovascular activity, hypotensive CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-03 US disclosed
EP-0547104-A1 THIAZOLIDIN DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1993-06-23 EP disclosed
EP-0541634-A1 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1993-05-19 EP disclosed
WO-1992004337-A1 THIAZOLIDIN DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-03-19 WO disclosed
WO-1992002503-A1 NOVEL 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-02-20 WO disclosed