SCHEMBL8070855

SCHEMBL8070855

CC(C)Cc1cccc(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.47
GLRA1 P23415 1/20 0.45
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
FOLH1 Q04609 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
NR4A2 P43354 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM3 P20309 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
SCHEMBL8078598 0.83 PTGER4 (0.48) PTGER1GLRA1PTGER4PTGER3PTGER2
SCHEMBL28877496 0.82 ALDH1A1 (0.49) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL1169607 0.82 TSHR (0.51) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL15716510 0.82 ALDH1A1 (0.58) PTGER1ALDH1A1KMT2AMEN1CTSV
SCHEMBL4636545 0.82 PTGER4 (0.51) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL128058 0.80 GLRA1 (0.57) PTGER1GLRA1ALDH1A1KMT2AMEN1
SCHEMBL9125830 0.78 PTGER4 (0.54) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL8980650 0.78 MAOB (0.54) PTGER1ALDH1A1KMT2AMEN1CTSV
SCHEMBL1396290 0.78 ALDH1A1 (0.57) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL8545823 0.77 PTGER1 (0.55) PTGER1ALDH1A1KMT2AMEN1FOLH1

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-6083987-A 4-AMINO DERIVATIVE SUBSTITUTED PHENYLDIALKYLAMINE, USEFUL AS LIPID PEROXIDATION INHIBITOR SHISEIDO CO., LTD. (JP) 2000-07-04 US disclosed