SCHEMBL9623211

SCHEMBL9623211

COc1ccc2[nH]c3c(OC)cc(C(=O)OC(=O)c4cc(OC)c5[nH]c6ccc(OC)cc6c5c4C(=O)O)c(C(=O)O)c3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 6/20 0.49
GAA P10253 4/20 0.49
POLB P06746 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PDGFRB P09619 1/20 0.46
TUBB4A P04350 4/20 0.46
TUBB P07437 4/20 0.46
TUBA3C P0DPH7 4/20 0.46
TUBA1B P68363 4/20 0.46
TUBA4A P68366 4/20 0.46
TUBB4B P68371 4/20 0.46
TUBB3 Q13509 4/20 0.46
TUBB2A Q13885 4/20 0.46
TUBB8 Q3ZCM7 4/20 0.46
TUBA3E Q6PEY2 4/20 0.46
TUBA1A Q71U36 4/20 0.46
TUBA1C Q9BQE3 4/20 0.46
TUBB6 Q9BUF5 4/20 0.46

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
SCHEMBL9623045 0.92 KDM4E (0.55) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL9623538 0.90 KDM4E (0.45) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL9622538 0.82 KDM4E (0.50) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL9622887 0.81 GABRA1 (0.45) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL9622712 0.78 ALDH1A1 (0.50) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL9622950 0.75 KDM4E (0.55) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL9623171 0.73 ALDH1A1 (0.45) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL1434196 0.70 ALDH1A1 (0.67) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL31486241 0.70 ALDH1A1 (0.65) KDM4EALDH1A1GAAL3MBTL1PDGFRB
SCHEMBL11733627 0.69 KDM4E (0.60) KDM4EALDH1A1GAAPOLBTDP1

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-5166204-A ISOINDOLE DERIVATIVES AND SALTS THEREOF AND ANTITUMOR AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1992-11-24 US disclosed