SCHEMBL27313970

SCHEMBL27313970

CCOC(=O)C(OCC)(Oc1ccccc1)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.49
TSHR P16473 3/20 0.46
PPARA Q07869 2/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR2A P28223 1/20 0.46
PMP22 Q01453 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
MMP8 P22894 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
CRHBP P24387 1/20 0.42

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
SCHEMBL6228331 0.80 POLB (0.52) PIN1TSHRPOLBNPSR1LMNA
SCHEMBL2824491 0.79 PPARA (0.71) PIN1TSHRPPARAABCB11CYP1A2
SCHEMBL11655878 0.79 POLB (0.51) PIN1TSHRPPARAABCB11CYP1A2
SCHEMBL5536414 0.79 POLB (0.51) PIN1TSHRPPARAABCB11CYP1A2
SCHEMBL24497220 0.78 POLB (0.50) PIN1TSHRPPARAABCB11CYP1A2
SCHEMBL27352386 0.78 TSHR (0.51) PIN1TSHRPPARAABCB11CYP1A2
SCHEMBL10654872 0.78 PPARA (0.55) PIN1TSHRPPARAABCB11CYP1A2
SCHEMBL11358611 0.77 OPRK1 (0.63) PIN1TSHRPPARAABCB11CYP1A2
SCHEMBL28230446 0.77 PIN1 (0.49) PIN1TSHRPPARAABCB11CYP1A2
SCHEMBL28082486 0.76 PPARA (0.43) PIN1TSHRPPARAABCB11CYP1A2

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
CN-1028100-C Process for preparing phenoxy-heterocyclic compounds MIDICINE INST CHINESE MEDICAL (CN) 1995-04-05 CN disclosed
CN-1051039-A Phenoxy group-heterogeneous ring compound MERRELL DOW PHARMA (US) 1991-05-01 CN disclosed