SCHEMBL7980067

SCHEMBL7980067

COc1cc(C)cc(B(O)Oc2c(OC)cc(C)cc2B(O)O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.45
ACHE P22303 2/20 0.44
MAPT P10636 3/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
APEX1 P27695 1/20 0.35
MPI P34949 1/20 0.35
RECQL P46063 1/20 0.35
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34

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
SCHEMBL7980063 0.83 ERN1 (0.56) ERN1ACHEMAPTKMT2AKDM4E
SCHEMBL7241379 0.83 ERN1 (0.56) ERN1ACHEMAPTKMT2AKDM4E
SCHEMBL29951600 0.79 ACHE (0.64) ERN1ACHEMAPTCYP3A4KMT2A
SCHEMBL7980070 0.78 ERN1 (0.47) ERN1ACHEMAPTKMT2AKDM4E
SCHEMBL7776334 0.76 KDM4E (0.37) MAPTKMT2AKDM4EALDH1A1POLB
SCHEMBL562147 0.71 ERN1 (0.63) ERN1ACHEMAPTCYP3A4KMT2A
SCHEMBL31090995 0.70 ACHE (0.60) ERN1ACHEMAPTCYP3A4KMT2A
SCHEMBL1126254 0.70 ACHE (0.48) ERN1ACHEMAPTCYP3A4KMT2A
SCHEMBL7772570 0.70 ENPP2 (0.50) ERN1MAPTCYP3A4KMT2AKDM4E
Boric Acid SCHEMBL4626813 0.69 ACHE (0.81) ERN1ACHEMAPTCYP3A4KMT2A

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
US-6177419-B1 ANTIOXIDANT CHELATE COMPOUNDS FOR PREVENTING OXYGEN FREE RADICAL-ASSOCIATED DISEASES IN MAMMALS; NEUROPROTECTANTS, SUPEROXIDE DISMUTASE (SOD), CATALASE (CAT) AND/OR PEROXIDASE (POD) MIMETICS EUKARION, INC. 2001-01-23 US disclosed