SCHEMBL11782575

SCHEMBL11782575

CCCCC1COC(c2ccc([N+](=O)[O-])o2)O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
STING1 Q86WV6 1/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 5/20 0.34
TP53 P04637 1/20 0.34
KDM1A O60341 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CASP6 P55212 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
SCHEMBL11776584 0.95 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASTING1POLB
SCHEMBL11780332 0.95 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASTING1POLB
SCHEMBL11778643 0.95 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASTING1POLB
SCHEMBL11776242 0.95 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASTING1POLB
SCHEMBL11776308 0.95 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASTING1POLB
SCHEMBL11780489 0.95 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASTING1POLB
SCHEMBL11775301 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL11778570 0.72 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASTING1POLB
SCHEMBL11075475 0.70 POLB (0.56) ALDH1A1POLBPKM
SCHEMBL11075476 0.70 POLB (0.56) ALDH1A1POLBPKM

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