SCHEMBL14980271

SCHEMBL14980271

CCOC(CBr)Oc1c(OC)ccc(C=O)c1-c1ccc(OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
ERN1 O75460 5/20 0.38
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TUBB1 Q9H4B7 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.32
TRIM24 O15164 1/20 0.32
TYR P14679 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
BACE1 P56817 1/20 0.31

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
SCHEMBL13043499 0.91 ALDH1A1 (0.34) ALDH1A1ERN1L3MBTL1LMNACYP1A2
SCHEMBL3744230 0.89 ERN1 (0.33) ALDH1A1ERN1
SCHEMBL13079249 0.89 ALDH1A1 (0.38) ALDH1A1ERN1KDM4EL3MBTL1TUBB1
SCHEMBL3754539 0.88 PREP (0.35) ALDH1A1ERN1TUBB1
SCHEMBL13078743 0.79 PREP (0.35) ALDH1A1ERN1TUBB1
SCHEMBL13079722 0.79 ERN1 (0.33) ALDH1A1ERN1
SCHEMBL28803580 0.78 ALDH1A1 (0.53) ALDH1A1ERN1TUBB1LMNACYP1A2
SCHEMBL13078747 0.69 ERN1 (0.60) ALDH1A1ERN1LMNACYP1A2CYP2C9
SCHEMBL118322 0.65 KDM4E (0.54) ALDH1A1ERN1KDM4EL3MBTL1TUBB1
SCHEMBL3924348 0.64 ALDH1A1 (0.71) ALDH1A1ERN1KDM4EL3MBTL1CYP1A2

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-8450365-B2 Efficient synthesis of galanthamine BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-28 US disclosed