SCHEMBL14354579

SCHEMBL14354579

COC(=O)Cc1ccc(CC(=O)OC)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
GFER P55789 1/20 0.53
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
HSP90AB1 P08238 1/20 0.49
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
SLC7A5 Q01650 1/20 0.43
HDAC1 Q13547 2/20 0.42

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
SCHEMBL22898416 0.90 ALDH1A1 (0.50) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL30106457 0.84 HPGD (0.42) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL10833911 0.84 HPGD (0.42) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL14301862 0.84 ALDH1A1 (0.57) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL8881028 0.83 ALDH1A1 (0.51) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL9129321 0.83 ABL1 (0.47) ALDH1A1GAACYP4F2CYP4A11HSP90AB1
SCHEMBL30046118 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL2436724 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL1303490 0.83 ALDH1A1 (0.66) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL30027871 0.83 ALDH1A1 (0.66) ALDH1A1GAAGFERCYP4F2CYP4A11

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-20070278941-A1 ELECTROLUMINESCENT DEVICES HAVING CONJUGATED ARYLAMINE POLYMERS ZHENG SHIYING 2007-12-06 US disclosed