SCHEMBL11249673

SCHEMBL11249673

O=C(CCl)Oc1cccc(Cl)c1-c1c(Cl)cccc1OC(=O)CCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 1/20 0.38
AKR1B1 P15121 1/20 0.37
CXCL8 P10145 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TOP2A P11388 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
XBP1 P17861 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL28189795 0.85 MEN1 (0.50) KMT2AMEN1PKMHPGDTSHR
SCHEMBL6691255 0.80 TOP2A (0.45) KMT2AMEN1PKMALDH1A1HPGD
SCHEMBL11107244 0.76 TTR (0.50) KMT2AMEN1PKMALDH1A1HPGD
SCHEMBL11223180 0.76 ALDH1A1 (0.42) KMT2AMEN1PKMALDH1A1HPGD
SCHEMBL10394363 0.75 POLM (0.63) KMT2AMEN1PKMALDH1A1HPGD
SCHEMBL11223702 0.75 ALDH1A1 (0.42) KMT2AMEN1PKMALDH1A1TOP2A
SCHEMBL11148733 0.74 TOP2A (0.34) KMT2AMEN1ALDH1A1HPGDTOP2A
SCHEMBL4644681 0.73 GAA (0.50) KMT2AALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL28361567 0.73 CES2 (0.41) KMT2AALDH1A1CXCL8TOP2ASMN1; SMN2
SCHEMBL10784906 0.73 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1HPGDTSHR

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-4366171-A Fungicidal biphenyl esters, mixtures thereof and method of use GAF CORPORATION (US) 1982-12-28 US disclosed