SCHEMBL9458643

SCHEMBL9458643

CCc1cc(OCc2ccc(B(O)O)cc2)c2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.56
AGTR2 P50052 1/20 0.56
LIPE Q05469 1/20 0.43

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
Hydrochloric Acid SCHEMBL9137327 0.99 AGTR1 (0.55) AGTR1AGTR2LIPE
SCHEMBL4767008 0.84 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9177090 0.78 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL4764548 0.76 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL9178138 0.75 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL9181093 0.75 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL9141699 0.75 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL31425607 0.74 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL5538132 0.74 KDM4E (0.51) AGTR1AGTR2
SCHEMBL9182577 0.74 KDM4E (0.56) AGTR1AGTR2

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
US-5245035-A HETEROCYCLIC BORON COMPOUNDS AS INTERMEDIATES FOR ANGIOTENSIN II ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-09-14 US claimed
EP-0495627-A1 Boron compounds ZENECA LIMITED (GB) 1992-07-22 EP claimed