SCHEMBL20570936

SCHEMBL20570936

O=Cc1ccc(Cl)cc1OC1(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ERN1 O75460 5/20 0.40
MAP4K4 O95819 1/20 0.36
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PTGDR Q13258 1/20 0.33
SLC16A3 O15427 1/20 0.33

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
SCHEMBL20570798 0.85 ERN1 (0.39) TDP1ERN1ALDH1A1LMNAHPGD
SCHEMBL22116362 0.79 MAP4K4 (0.37) TDP1MAP4K4TSHRALDH1A1LMNA
SCHEMBL22116326 0.79 MAP4K4 (0.37) TDP1MAP4K4TSHRALDH1A1LMNA
SCHEMBL9717633 0.75 MAP4K4 (0.33) MAP4K4
SCHEMBL9689045 0.73 TDP1 (0.52) TDP1ERN1ALDH1A1LMNAMAPT
SCHEMBL24234318 0.72 PTGDR2 (0.51) TSHRLMNAPTGDR2MEN1KMT2A
SCHEMBL22116371 0.71 PTGDR2 (0.40) MAP4K4PTGDR2PTGDRFFAR4
SCHEMBL4232553 0.71 PTGDR2 (0.61) TDP1TSHRMAPTPTGDR2PTGDR
SCHEMBL20570322 0.71 KMT2A (0.46) TDP1ERN1HPGDSMN1; SMN2MEN1
SCHEMBL697540 0.71 MAP4K4 (0.53) MAP4K4TSHRMAPTHPGDMEN1

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-3634404-A1 PYRAZOLE MAGL INHIBITORS Lundbeck La Jolla Research Center, Inc. (US) 2020-04-15 EP disclosed
WO-2018217809-A1 PYRAZOLE MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-11-29 WO disclosed