SCHEMBL11021604

SCHEMBL11021604

COc1cc(CCC(=O)O)ccc1OCC(O)CNC(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.57
ADRB1 P08588 1/20 0.57
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
PMP22 Q01453 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL8675573 0.91 ADRB2 (0.57) ADRB2ADRB1
SCHEMBL11020432 0.91 ADRB2 (0.69) ADRB2ADRB1
SCHEMBL11022468 0.90 ADRB2 (0.53) ADRB2ADRB1
SCHEMBL11021644 0.88 ADRB2 (0.59) ADRB2ADRB1
SCHEMBL11018359 0.87 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL11020505 0.86 ADRB2 (0.54) ADRB2ADRB1NPY1RNPY2RPMP22
SCHEMBL11022837 0.86 ADRB2 (0.54) ADRB2ADRB1NPY1RNPY2RPMP22
SCHEMBL20552576 0.85 KMT2A (0.51) ADRB2ADRB1MEN1KMT2A
SCHEMBL20552945 0.85 KMT2A (0.51) ADRB2ADRB1MEN1KMT2A
SCHEMBL9815376 0.85 ADRB2 (0.53) ADRB2ADRB1

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-0041491-B1 NEW PARA-SUBSTITUTED 3-PHENOXY-1-ALKYLAMINO-PROPANOL-2-S HAVING BETA RECEPTOR BLOCKING PROPERTIES Aktiebolaget Hässle (SE) 1985-01-30 EP claimed