SCHEMBL11706751

SCHEMBL11706751

Cc1c(C)c(OCCO)c(C)c(C)c1N

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IKBKB O14920 1/20 0.34
LOX P28300 1/20 0.32
AOC3 Q16853 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
NR1I2 O75469 1/20 0.31
THRB P10828 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
SCHEMBL11705753 0.74 LOX (0.39) KMT2AIKBKBLOXAOC3ALDH1A1
SCHEMBL20201350 0.73 KMT2A (0.50) KMT2AGAAHSD17B10ALDH1A1THRB
SCHEMBL11540679 0.71 KMT2A (0.38) KMT2AGAAHSD17B10ALDH1A1RECQL
SCHEMBL16372542 0.70 SCN5A (0.40) KMT2AGAAHSD17B10LOXAOC3
SCHEMBL11703620 0.70 HTR1A (0.44) KMT2AGAAHSD17B10IKBKBALDH1A1
SCHEMBL23271772 0.70 ALDH1A1 (0.48) KMT2AGAAHSD17B10ALDH1A1RECQL
SCHEMBL30002991 0.70 ALDH1A1 (0.48) KMT2AGAAHSD17B10ALDH1A1RECQL
SCHEMBL21753752 0.69 IDO1 (0.39) KMT2AGAAHSD17B10LOXAOC3
SCHEMBL8671897 0.69 IDO1 (0.39) KMT2AGAAHSD17B10LOXAOC3
SCHEMBL8527585 0.69 IDO1 (0.39) KMT2AGAAHSD17B10LOXAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4036824-A Disazo dyestuffs containing A-O-alkylene-O-SO3 H group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-3956267-A Indole-containing disazo dyestuffs having a sulfatoalkyleneoxy-substituent BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed