SCHEMBL3263777

SCHEMBL3263777

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPT P10636 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 2/20 0.43
NR4A2 P43354 2/20 0.42
GPR174 Q9BXC1 1/20 0.42
KMT2A Q03164 2/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GSK3B P49841 1/20 0.41
ADK P55263 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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 0.88 NR4A2 (0.56) KDM4EMAPTALOX5ALDH1A1HSD17B10
SCHEMBL7459854 0.80 KDM4E (0.58) KDM4EMAPTTDP1ALOX5ALDH1A1
SCHEMBL7311543 0.79 KDM4E (0.57) KDM4EMAPTTDP1ALOX5ALDH1A1
SCHEMBL3264074 0.78 KMT2A (0.53) KDM4EMAPTTDP1ALOX5ALDH1A1
SCHEMBL4625769 0.77 KDM4E (0.51) KDM4EMAPTTDP1ALDH1A1NR4A2
SCHEMBL3263240 0.75 NR4A2 (0.53) KDM4EMAPTALOX5ALDH1A1HSD17B10
SCHEMBL3265821 0.70 ALDH1A1 (0.48) KDM4EMAPTALDH1A1HSD17B10NR4A2
SCHEMBL16433366 0.70 KDM4E (0.66) KDM4EMAPTTDP1ALDH1A1HSD17B10
SCHEMBL570154 0.70 NR4A2 (0.67) KDM4EMAPTTDP1ALDH1A1HSD17B10
SCHEMBL6964299 0.69 KDM4E (0.57) KDM4EMAPTTDP1ALDH1A1HSD17B10

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