SCHEMBL5769291

SCHEMBL5769291

COC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(OC)c(OC)c2)cn1[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.38
PRKCI P41743 1/20 0.38
PRKCZ Q05513 1/20 0.38
NPC1 O15118 2/20 0.38
ATM Q13315 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
RAB9A P51151 2/20 0.37
GAA P10253 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL5769288 0.91 MAPT (0.41) MAPTALDH1A1MAPK1HSD17B10HPGD
SCHEMBL5946221 0.84 SLC6A3 (0.47)
SCHEMBL5769437 0.81 ALDH2 (0.39) MAPTALDH1A1MAPK1HPGDKMT2A
SCHEMBL5946211 0.75 SLC6A3 (0.47) ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL5946257 0.70 MAPT (0.47) MAPTALDH1A1MAPK1HSD17B10HPGD
SCHEMBL5946174 0.68 CA12 (0.44) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL21296989 0.65 ESR2 (0.56) ALDH1A1HSD17B10KMT2AKDM4ENPC1
SCHEMBL5768912 0.65 ALDH2 (0.42) MAPTALDH1A1HPGDKMT2AKDM4E
SCHEMBL24625565 0.63 CA12 (0.58) MAPTALDH1A1MAPK1HSD17B10HPGD
SCHEMBL17817363 0.62 SYK (0.48) MAPTALDH1A1MAPK1HSD17B10HPGD

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
EP-1613635-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2006-01-11 EP disclosed
WO-2004073598-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A.U. (ES) 2004-09-02 WO disclosed