SCHEMBL13824331

SCHEMBL13824331

Bc1cc(C[n+]2ccc(C=C)cc2)cc(C[n+]2ccc(-c3cc[n+](Cc4cc(B)cc(C[n+]5ccc(C=C)cc5)c4)cc3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHKA P35790 6/20 0.38
HDAC8 Q9BY41 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
KDM4A O75164 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL10137237 0.80 CHKA (0.36) CHKAHDAC8ALDH1A1KDM4ERAB9A
SCHEMBL24038376 0.79 CHKA (0.49) CHKAALDH1A1KDM4ERAB9ABCHE
SCHEMBL12910774 0.79 CHKA (0.49) CHKAALDH1A1KDM4ERAB9ABCHE
Hydrochloric Acid SCHEMBL25439458 0.78 CHKA (0.47) CHKAALDH1A1KDM4ERAB9ABCHE
Hydrochloric Acid SCHEMBL25439461 0.78 CHKA (0.47) CHKAALDH1A1KDM4ERAB9ABCHE
Hydrochloric Acid SCHEMBL30601056 0.75 CHKA (0.41) CHKAHDAC8ALDH1A1KDM4ERAB9A
SCHEMBL13996861 0.73 ALDH1A1 (0.56) CHKAALDH1A1KDM4ERAB9A
SCHEMBL12530148 0.72 KDM4E (0.58) CHKAALDH1A1KDM4ERAB9ABCHE
Hydrochloric Acid SCHEMBL30007947 0.72 ALDH1A1 (0.58) CHKAALDH1A1KDM4ERAB9A
SCHEMBL29989293 0.72 HDAC8 (0.55) CHKAHDAC8ALDH1A1KDM4ERAB9A

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-8394357-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-12 US disclosed
US-20090148344-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed