SCHEMBL1735849

SCHEMBL1735849

C1=CC(C2CO2)Oc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.32
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9506276 0.86 ABCG2 (0.30) ABCG2
SCHEMBL30407118 0.84 KDM4E (0.35) ABCG2HTR2CHTR2BKDM4EMEN1
SCHEMBL31412834 0.83 CHRNB4 (0.43) ABCG2
SCHEMBL29973138 0.82 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL1850273 0.79 RORC (0.34) ABCG2HTR2CHTR2BKDM4EMEN1
SCHEMBL30912029 0.77 CA2 (0.36)
SCHEMBL2400600 0.76 HTR2C (0.36) HTR2C
SCHEMBL1923837 0.76 HTR2C (0.36) HTR2C
SCHEMBL1922162 0.76 HTR2C (0.36) HTR2C
SCHEMBL2399979 0.76 HTR2C (0.36) HTR2C

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-2163551-B1 An improved process for the preparation of nebivolol hydrochloride CADILA PHARMACEUTICALS LTD (IN) 2011-11-16 EP disclosed
WO-2011131129-A1 HANGING ORNAMENT WITH HANGING FUNCTION CHAN KA CHUEN (CN) 2011-10-27 WO disclosed