SCHEMBL6577445

SCHEMBL6577445

C[C@H](NCCc1ccc(OCC(=O)O)cc1Cl)[C@@H](O)c1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.66
ADRB2 P07550 1/20 0.49
LMNA P02545 1/20 0.49
CYP2D6 P10635 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL6577435 1.00 ADRB3 (0.66) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL6577377 0.89 ADRB3 (0.59) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL6577389 0.89 ADRB3 (0.59) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL6579553 0.88 ADRB3 (0.68) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL6579561 0.88 ADRB3 (0.68) ADRB3ADRB2LMNACYP2D6HIF1A
Hydrochloric Acid SCHEMBL6576587 0.88 ADRB3 (0.69) ADRB3ADRB2LMNACYP2D6HIF1A
Hydrochloric Acid SCHEMBL6576583 0.88 ADRB3 (0.69) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL6575106 0.87 ADRB3 (0.57) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL6575103 0.87 ADRB3 (0.57) ADRB3ADRB2LMNACYP2D6HIF1A
Hydrochloric Acid SCHEMBL6576595 0.86 ADRB3 (0.58) ADRB3LMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1002791-B1 AMINOETHYLPHENOXYACETIC ACID DERIVATIVES AND DRUGS FOR PAIN REMISSION AND CALCULI REMOVAL PROMOTION IN URINARY LITHIASIS KISSEI PHARMACEUTICAL (JP) 2004-10-20 EP disclosed
US-6399660-B1 AMINOETHYLPHENOXYACETIC ACID COMPOUND KISSEI PHARMACEUTICAL CO., LTD. (JP) 2002-06-04 US disclosed
EP-1002791-A1 AMINOETHYLPHENOXYACETIC ACID DERIVATIVES AND DRUGS FOR PAIN REMISSION AND CALCULI REMOVAL PROMOTION IN URINARY LITHIASIS Kissei Pharmaceutical Co., Ltd. (JP) 2000-05-24 EP disclosed