SCHEMBL10061317

SCHEMBL10061317

C=CC(=O)OCC(O)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
DPP4 P27487 1/20 0.44
MMP12 P39900 3/20 0.44
MMP13 P45452 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44
TSHR P16473 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
LPAR1 Q92633 3/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1637392 0.84 THRB (0.47) THRBTSHRHCAR2ADRB2ADRB1
SCHEMBL28334078 0.84 THRB (0.49) THRBTSHRHCAR2LPAR1ADRB2
SCHEMBL8191319 0.81 CA1 (0.54) THRBTSHRHCAR2
SCHEMBL14767584 0.80 MMP12 (0.44) THRBMMP12MMP13ADRB2ADRB1
SCHEMBL2258396 0.80 LMNA (0.56) DPP4MMP12MMP13MMP2MMP9
Phenol SCHEMBL27954271 0.78 TSHR (0.44) THRBTSHRADRB2ADRB1ADRB3
SCHEMBL6829099 0.78 THRB (0.43) THRBTSHRHCAR2
SCHEMBL19625554 0.78 CYP1A2 (0.40) THRBMMP12ADRB2ADRB1ADRB3
Methacrylic Acid SCHEMBL27741433 0.77 TSHR (0.41) THRBTSHRADRB2ADRB1ADRB3
SCHEMBL9656435 0.77 TSHR (0.41) THRBMMP12MMP2MMP9TSHR

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-2412765-A1 Inkjet recording method, and printed material FUJIFILM Corporation (JP) 2012-02-01 EP disclosed
EP-1829909-A1 METHOD FOR PRODUCING BRANCHED POLYETHER RESIN COMPOSITION AND METHOD FOR PRODUCING ACID-PENDANT BRANCHED POLYETHER RESIN COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-09-05 EP disclosed