SCHEMBL3263699

SCHEMBL3263699

C=C(C)COc1[nH]c2c(OC)cccc2c1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
GLA P06280 1/20 0.48
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 3/20 0.43
MCL1 Q07820 3/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41

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
SCHEMBL3261338 0.80 NR4A2 (0.56) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL7218658 0.75 NR4A2 (0.59) GAAGLAALDH1A1HPGDMEN1
SCHEMBL3265821 0.74 ALDH1A1 (0.48) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL7410285 0.73 GAA (0.50) GAAGLAALDH1A1HPGDMEN1
SCHEMBL3264185 0.71 GAA (0.46) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL28025010 0.71 GAA (0.53) GAAGLAALDH1A1HPGDMEN1
SCHEMBL3263240 0.68 NR4A2 (0.53) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL3263777 0.68 KDM4E (0.51) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL8379922 0.67 ALDH1A1 (0.56) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL28834767 0.66 KDM4E (0.58) GAAGLAALDH1A1HPGDMEN1

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
WO-2010008727-A1 ASYMMETRIC SYNTHESIS OF ALLYL OR ALLENE OXINDOLES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-01-21 WO disclosed