SCHEMBL9222017

SCHEMBL9222017

O=C(O)C1CCC1C(=O)O.O=C(O)C=Cc1ccco1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.75
MASP2 O00187 1/20 0.59
F2 P00734 1/20 0.59
ALDH1A1 P00352 9/20 0.54
POLB P06746 7/20 0.54
MAPT P10636 8/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
RAB9A P51151 3/20 0.48
HTT P42858 2/20 0.48
RECQL P46063 2/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PKM P14618 1/20 0.48
MCL1 Q07820 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL9222011 1.00 HCAR2 (0.75) HCAR2MASP2F2ALDH1A1POLB
SCHEMBL125126 0.87 HCAR2 (1.00) HCAR2MASP2F2ALDH1A1POLB
SCHEMBL2561722 0.87 HCAR2 (1.00) HCAR2MASP2F2ALDH1A1POLB
SCHEMBL125125 0.87 HCAR2 (1.00) HCAR2MASP2F2ALDH1A1POLB
Hydrochloric Acid SCHEMBL6744115 0.85 HCAR2 (0.96) HCAR2MASP2F2ALDH1A1POLB
SCHEMBL14088334 0.78 HCAR2 (0.69) HCAR2MASP2F2ALDH1A1POLB
SCHEMBL3513903 0.78 HCAR2 (0.69) HCAR2MASP2F2ALDH1A1POLB
SCHEMBL5250151 0.78 HCAR2 (0.69) HCAR2MASP2F2ALDH1A1POLB
SCHEMBL9112298 0.78 HCAR2 (0.69) HCAR2MASP2F2ALDH1A1POLB
SCHEMBL10857031 0.78 HCAR2 (0.80) HCAR2MASP2F2ALDH1A1POLB

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
EP-0677039-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1995-10-18 EP disclosed