SCHEMBL11778570

SCHEMBL11778570

CCCCC1(CC)COC(c2ccc([N+](=O)[O-])o2)OC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
STING1 Q86WV6 1/20 0.36
MAPT P10636 5/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.33
LMNA P02545 2/20 0.31
ESPL1 Q14674 1/20 0.31
NPC1 O15118 1/20 0.31
CASP6 P55212 1/20 0.30
HTT P42858 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
PAX8 Q06710 1/20 0.30

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
SCHEMBL11780004 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL18119747 0.72 MEN1 (0.39) MEN1KMT2APOLBMAPTMAPK1
SCHEMBL7101367 0.72 KCNA4 (0.56) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11781977 0.72 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11782575 0.72 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11776584 0.70 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11780332 0.70 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11778643 0.70 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11780489 0.70 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11776308 0.70 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EPOLB

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-3987189-A COSMETICS HENKEL & CIE G.M.B.H. (DT) 1976-10-19 US disclosed