SCHEMBL9852618

SCHEMBL9852618

CC(Oc1ccccc1)(Oc1ccc(Cl)cc1Cl)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.49
PPARA Q07869 5/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
PPARG P37231 3/20 0.46
TDP1 Q9NUW8 2/20 0.45
CHRM1 P11229 1/20 0.45
TSHR P16473 1/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
FABP2 P12104 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
TTR P02766 2/20 0.42
FFAR1 O14842 2/20 0.41
NPC1 O15118 1/20 0.41

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
Dimethylamine SCHEMBL11276795 0.82 TSHR (0.42) PPARAMAPTMEN1KMT2APPARG
SCHEMBL11512293 0.81 MRGPRX4 (0.50) MRGPRX4PPARAMAPTMEN1KMT2A
SCHEMBL1538043 0.80 PPARA (0.47) PPARAMAPTMEN1KMT2ACYP1A2
SCHEMBL581884 0.80 PPARA (0.59) MRGPRX4PPARAMAPTMEN1KMT2A
Water SCHEMBL28074674 0.79 PPARA (0.46) PPARAMAPTMEN1KMT2ACYP1A2
SCHEMBL10715008 0.78 PPARA (0.41) MRGPRX4PPARAMAPTMEN1KMT2A
SCHEMBL10344600 0.77 TDP1 (0.49) MRGPRX4PPARAMAPTMEN1KMT2A
SCHEMBL28363492 0.76 TSHR (0.55) MRGPRX4PPARAMAPTMEN1KMT2A
SCHEMBL11513048 0.75 MRGPRX4 (0.48) MRGPRX4PPARAMAPTMEN1KMT2A
SCHEMBL987343 0.75 PPARA (0.67) MRGPRX4PPARAMAPTMEN1KMT2A

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-0415212-A1 Aryloxynaphthalene derivatives BAYER AG (DE) 1991-03-06 EP disclosed