SCHEMBL3263240

SCHEMBL3263240

C=C(CC)COc1[nH]c2ccccc2c1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.53
ALOX5 P09917 7/20 0.51
IDO1 P14902 1/20 0.48
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43

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
SCHEMBL3263959 0.88 NR4A2 (0.51) NR4A2ALOX5IDO1PTPN1KDM4E
SCHEMBL3261338 0.87 NR4A2 (0.56) NR4A2ALOX5IDO1PTPN1KDM4E
SCHEMBL3263245 0.80 ALOX5 (0.60) NR4A2ALOX5IDO1PTPN1KDM4E
SCHEMBL3151973 0.78 NR4A2 (0.59) NR4A2ALOX5IDO1PTPN1KDM4E
SCHEMBL7428961 0.78 NR4A2 (0.57) NR4A2ALOX5IDO1PTPN1KDM4E
SCHEMBL9317997 0.78 NR4A2 (0.69) NR4A2ALOX5IDO1PTPN1KDM4E
SCHEMBL3263777 0.75 KDM4E (0.51) NR4A2ALOX5KDM4EALDH1A1HPGD
SCHEMBL8810246 0.74 NR4A2 (0.63) NR4A2ALOX5IDO1PTPN1KDM4E
SCHEMBL15175477 0.73 NR4A2 (0.65) NR4A2ALOX5IDO1PTPN1KDM4E
SCHEMBL19410844 0.72 NR4A2 (0.69) NR4A2ALOX5IDO1PTPN1KDM4E

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