SCHEMBL6132481

SCHEMBL6132481

COC(=O)c1ccc(-c2ccc(N3CCN(c4ccc(N5CC(C)OC(C)C5)cc4)CC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
MGLL Q99685 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GRM2 Q14416 1/20 0.42
GAA P10253 1/20 0.42
AURKA O14965 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6132480 1.00 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AKDM4EHTT
SCHEMBL6132536 0.86 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AKDM4EHTT
SCHEMBL6132539 0.86 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AKDM4EHTT
SCHEMBL6132728 0.85 MAPT (0.52) ALDH1A1MAPTKMT2AKDM4EHTT
SCHEMBL6132730 0.85 MAPT (0.52) ALDH1A1MAPTKMT2AKDM4EHTT
SCHEMBL6132668 0.85 USP2 (0.57) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL6132666 0.85 USP2 (0.57) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL6132323 0.85 USP2 (0.57) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL6132320 0.85 USP2 (0.57) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL6132711 0.84 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AKDM4EHTT

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-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed