SCHEMBL28107403

SCHEMBL28107403

O=C(OCCCc1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.56
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 1/20 0.53
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP12 P39900 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
KCNH2 Q12809 1/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL811440 0.86 TDP1 (0.61) BCHETDP1KMT2AL3MBTL1ESR1
SCHEMBL810821 0.86 L3MBTL1 (0.57) BCHETDP1KMT2AL3MBTL1ESR1
SCHEMBL810857 0.85 TDP1 (0.59) BCHETDP1LMNAL3MBTL1ESR1
SCHEMBL839075 0.85 TDP1 (0.75) TDP1LMNAMMP1MMP2MMP12
SCHEMBL14335404 0.84 BCHE (0.55) BCHETDP1LMNAKMT2AL3MBTL1
SCHEMBL28951399 0.84 TYR (0.54) BCHETDP1L3MBTL1ESR1ESR2
Hydrogen Peroxide SCHEMBL27761851 0.82 ESR1 (0.57) TDP1LMNAL3MBTL1ESR1RAB9A
SCHEMBL18668810 0.82 TDP1 (0.53) BCHETDP1MEN1KMT2AL3MBTL1
SCHEMBL21815745 0.82 ESR1 (0.59) BCHETDP1LMNAMMP1MMP2
SCHEMBL6057083 0.82 TDP1 (0.69) BCHETDP1LMNAMMP1MMP2

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
CN-103781805-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限责任公司 2016-10-12 CN disclosed