SCHEMBL11351069

SCHEMBL11351069

CCCOc1c(Cl)c(Cl)c(Cl)c(OCCC)c1OCCC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CSNK2A1 P68400 2/20 0.33
TLR4 O00206 1/20 0.31
LTA4H P09960 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
SCHEMBL11312550 0.83 KMT2A (0.36) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL10691210 0.83 LTA4H (0.37) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8405077 0.82 NPC1 (0.44) TLR4LTA4H
SCHEMBL9683985 0.77 NPC1 (0.44) TLR4LTA4H
SCHEMBL9683865 0.75 THRA (0.43) ALDH1A1TLR4LTA4H
SCHEMBL9685144 0.73 THRA (0.45) ALDH1A1TLR4
SCHEMBL9683858 0.73 THRA (0.45) ALDH1A1TLR4
SCHEMBL9683839 0.73 THRA (0.45) ALDH1A1TLR4
SCHEMBL9683159 0.73 THRA (0.45) ALDH1A1TLR4
SCHEMBL5588289 0.71 KMT2A (0.34) KMT2AALDH1A1

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-4296260-A Process for the preparation of phloroglucinol AKZONA INCORPORATED (US) 1981-10-20 US disclosed