SCHEMBL11780004

SCHEMBL11780004

CCCC1(C)COC(c2ccc([N+](=O)[O-])o2)OC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 4/20 0.33
MITF O75030 3/20 0.33
HTT P42858 2/20 0.33
STING1 Q86WV6 1/20 0.33
CASP6 P55212 1/20 0.32
NPC1 O15118 2/20 0.32
PAX8 Q06710 1/20 0.32
XBP1 P17861 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11778570 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL7101367 0.75 KCNA4 (0.56) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL11781977 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL11780419 0.72 CASP6 (0.42) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL11776524 0.72 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL11779505 0.72 CASP6 (0.42) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL11777450 0.72 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL11776589 0.70 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL11782575 0.69 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL11775301 0.68 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APOLBKDM4E

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