SCHEMBL8793050

SCHEMBL8793050

COc1ccc(C(CCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)SC(C)(C)C)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
DPP8 Q6V1X1 1/20 0.46
HCRTR2 O43614 3/20 0.46
HCRTR1 O43613 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL9195698 0.85 MAPT (0.58) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL8794975 0.84 KMT2A (0.58) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL8793898 0.84 RAB9A (0.52) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL8794927 0.82 ABCB1 (0.54) ABCB1
SCHEMBL7333685 0.74 KMT2A (0.65) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL26544897 0.73 KMT2A (0.61) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL13059438 0.72 KMT2A (0.68) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL8795974 0.72 KMT2A (0.54) MAPTHPGDHTTNPSR1ALDH1A1
SCHEMBL6985977 0.71 KMT2A (0.63) MAPTNPSR1ALDH1A1KMT2AKDM4E
SCHEMBL28263863 0.71 KMT2A (0.63) MAPTHPGDHTTNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634401-B1 MDR reversal agents AMERICAN CYANAMID CO (US) 1997-08-13 EP disclosed
EP-0788496-A1 APOLIPOPROTEIN-B SYNTHESIS INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-13 EP disclosed
US-5639887-A MULTIDRUG RESISTANT CELLS; INCREASE CELL SENSITIVITY TO ANTICANCER AGENTS AMERICAN CYANAMID COMPANY (US) 1997-06-17 US disclosed
US-5561141-A POTENTIATE ACTIVITY OF ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1996-10-01 US disclosed
US-5550149-A SULFUR-CONTAINING COMPOUNDS THAT ARE EFFECTIVE IN POTENTIATING THE ACTIVITY OF CHEMOTHERAPEUTIC ANTI-CANCER AGENTS BY INCREASING SENSITIVITY OF MULTI-DRUG RESISTANT CELLS AMERICAN CYANAMID COMPANY (US) 1996-08-27 US disclosed
US-5387685-A MDR reversal agents AMERICAN CYANAMID COMPANY 1995-02-07 US disclosed
EP-0634401-A1 MDR reversal agents AMERICAN CYANAMID COMPANY (US) 1995-01-18 EP disclosed