SCHEMBL8977828

SCHEMBL8977828

COC(=O)CCc1c(O)cccc1OCc1ccc(C(=O)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
RAB9A P51151 4/20 0.57
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 3/20 0.45
STAT3 P40763 1/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
CKS1B P61024 1/20 0.43

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
SCHEMBL9176869 0.91 MAPT (0.57) MAPTRAB9ALMNAL3MBTL1KMT2A
SCHEMBL8777265 0.88 MRGPRX4 (0.50) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL8567607 0.84 MAPT (0.44) MAPTRAB9ALMNAL3MBTL1KMT2A
SCHEMBL8325686 0.84 LMNA (0.58) MAPTRAB9ALMNAL3MBTL1KMT2A
SCHEMBL8799232 0.82 CYP4A11 (0.51) MAPTRAB9ALMNAL3MBTL1KMT2A
SCHEMBL8799422 0.82 MAPT (0.50) MAPTRAB9ALMNAL3MBTL1KMT2A
SCHEMBL8777258 0.78 MRGPRX4 (0.53)
SCHEMBL5756261 0.77 MAPT (0.61) MAPTRAB9ALMNAL3MBTL1KMT2A
SCHEMBL4017348 0.76 CA12 (0.48) MAPTLMNAKMT2ACYP1A2CYP2C19
SCHEMBL8318954 0.76 LMNA (0.63) MAPTRAB9ALMNAL3MBTL1KMT2A

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
US-5559134-A Leukotriene-B4 antagonists, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed