SCHEMBL8318992

SCHEMBL8318992

COc1cc(C(=O)Cc2ccccc2)c(OC)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.46
PDE4D Q08499 2/20 0.46
HPGD P15428 1/20 0.44

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
SCHEMBL27901235 0.85 HIF1A (0.47) ALDH1A1HIF1AKDM4EUSP2TP53
SCHEMBL7823257 0.81 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL10958946 0.80 GAA (0.52) ALDH1A1HIF1AUSP2TP53SMN1; SMN2
SCHEMBL1276013 0.80 NPC1 (0.60) ALDH1A1HIF1AKDM4EUSP2TP53
SCHEMBL7046039 0.79 CTSV (0.44) ALDH1A1HIF1AUSP2TP53SMN1; SMN2
SCHEMBL10998628 0.79 CTSV (0.49) SMN1; SMN2LMNAGAANPC1RAB9A
SCHEMBL3282912 0.79 NPC1 (0.63) ALDH1A1USP2TP53SMN1; SMN2LMNA
SCHEMBL29861033 0.79 NPC1 (0.63) ALDH1A1USP2TP53SMN1; SMN2LMNA
SCHEMBL12950516 0.79 HSP90AA1 (0.55) ALDH1A1HIF1AKDM4EUSP2TP53
SCHEMBL4684698 0.78 MAPT (0.62) HIF1AKDM4EUSP2TP53SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103087027-B Preparation process of polyhydroxy isoflavone COLLEGE OF MILITARY PREVENTIVE MEDICINE THIRD MILITARY MEDICAL UNIVERSITY OF PLA 2014-11-19 CN claimed
CN-103087027-A Preparation process of polyhydroxy isoflavone MILITARY PREVENTION MEDICAL COLLEGE THIRD MILITARY MEDICAL UNIVERSITY OF PLA 2013-05-08 CN claimed
CN-103087027-B Preparation process of polyhydroxy isoflavone COLLEGE OF MILITARY PREVENTIVE MEDICINE THIRD MILITARY MEDICAL UNIVERSITY OF PLA 2014-11-19 CN disclosed
CN-103087027-A Preparation process of polyhydroxy isoflavone MILITARY PREVENTION MEDICAL COLLEGE THIRD MILITARY MEDICAL UNIVERSITY OF PLA 2013-05-08 CN disclosed
EP-0888346-A1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-01-07 EP disclosed
WO-1997029106-A1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1997-08-14 WO disclosed