SCHEMBL9119262

SCHEMBL9119262

COC(=O)C(=O)c1ccc(OCCCOc2ccc(C(O)CCCc3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
PLA2G4B P0C869 1/20 0.46
FFAR1 O14842 2/20 0.45
HDAC1 Q13547 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ALDH1A1 P00352 1/20 0.44
S1PR1 P21453 2/20 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
SCHEMBL9044252 0.87 FFAR1 (0.58) MEN1KMT2ARAB9ANPC1PLA2G4B
SCHEMBL9040101 0.85 PLA2G4B (0.60) MEN1KMT2ARAB9ANPC1PLA2G4B
SCHEMBL9119572 0.83 FFAR1 (0.46) MEN1KMT2ARAB9ANPC1FFAR1
SCHEMBL9122892 0.83 FFAR1 (0.55) FFAR1S1PR1
SCHEMBL9043347 0.83 FFAR1 (0.57) MEN1KMT2ARAB9ANPC1PLA2G4B
SCHEMBL9044525 0.81 MAPT (0.64) RAB9APLA2G4BHDAC1MAPT
SCHEMBL9042575 0.81 HDAC1 (0.51) MEN1KMT2ARAB9AHDAC1SMN1; SMN2
SCHEMBL9121262 0.81 MLYCD (0.50) MEN1KMT2ARAB9ANPC1PLA2G4B
SCHEMBL9118461 0.80 FFAR1 (0.72) FFAR1S1PR1
SCHEMBL9119260 0.79 RAB9A (0.45) MEN1KMT2ARAB9ANPC1HDAC1

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-5453443-A Antiallergens, antiinflammatory MERCK FROSST CANADA, INC. (CA) 1995-09-26 US disclosed