SCHEMBL525728

SCHEMBL525728

C=C(C)C(=O)OCC(C)OP(=O)(O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ANPEP P15144 1/20 0.40
LAP3 P28838 1/20 0.40
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
BTN3A1 O00481 6/20 0.38
SRC P12931 1/20 0.38
ELANE P08246 1/20 0.37

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
SCHEMBL19680511 0.82 TSHR (0.63) TSHRALDH1A1
SCHEMBL12273596 0.82 POLB (0.42) POLBALDH1A1ANPEPLAP3MTNR1A
SCHEMBL1138436 0.80 POLB (0.43) POLBALDH1A1ANPEPLAP3MTNR1A
SCHEMBL28439359 0.80 ALDH1A1 (0.46) ALDH1A1ANPEPLAP3MTNR1AMTNR1B
SCHEMBL301505 0.79 TSHR (0.56) TSHRPOLBALDH1A1MTNR1AMTNR1B
SCHEMBL105672 0.77 ALDH1A1 (0.49) TSHRPOLBALDH1A1ANPEPLAP3
SCHEMBL28575474 0.77 ALDH1A1 (0.43) TSHRPOLBALDH1A1ANPEPLAP3
Phosphoric Acid SCHEMBL17764817 0.76 ALDH1A1 (0.48) TSHRPOLBALDH1A1ANPEPLAP3
SCHEMBL19619723 0.76 ANPEP (0.49) POLBALDH1A1ANPEPLAP3MTNR1A
SCHEMBL11416970 0.76 ANPEP (0.49) POLBALDH1A1ANPEPLAP3MTNR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598101-A1 KIT OF PARTS, METHOD OF PRODUCING AND USE THEREOF 3M Innovative Properties Company (US) 2013-06-05 EP disclosed
WO-2012015814-A1 KIT OF PARTS, METHOD OF PRODUCING AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-02-02 WO disclosed
EP-2010127-A2 FILLER CONTAINING COMPOSITION AND PROCESS FOR PRODUCTION AND USE THEREOF 3M Innovative Properties Company (US) 2009-01-07 EP disclosed
WO-2007127827-A2 FILLER CONTAINING COMPOSITION AND PROCESS FOR PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-11-08 WO disclosed