SCHEMBL7703852

SCHEMBL7703852

Clc1[c]c(Cl)cc(-c2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.48
LTA4H P09960 6/20 0.46
TSHR P16473 1/20 0.46
MCL1 Q07820 4/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MAOA P21397 1/20 0.42
BCL2L1 Q07817 1/20 0.42
GRM2 Q14416 1/20 0.40
ERN1 O75460 1/20 0.40
SCN4A P35499 1/20 0.40
NLRP3 Q96P20 1/20 0.39
TLR8 Q9NR97 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL7689247 0.84 LTA4H (0.55) GSTP1LTA4HTSHRNPC1RAB9A
SCHEMBL1068381 0.81 CYP1A2 (0.48) TSHRMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL7700570 0.80 GSTP1 (0.44) GSTP1LTA4HTSHRMCL1NPC1
SCHEMBL27522805 0.79 CYP1A2 (0.46) TSHRMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL6406035 0.78 LTA4H (0.75) GSTP1LTA4HTSHRNPC1RAB9A
SCHEMBL197414 0.78 LTA4H (0.75) GSTP1LTA4HTSHRNPC1RAB9A
SCHEMBL2860844 0.78 LTA4H (0.75) GSTP1LTA4HTSHRNPC1RAB9A
SCHEMBL7704874 0.77 GSTP1 (0.48) GSTP1LTA4HTSHRMCL1NPC1
SCHEMBL21921128 0.76 LTA4H (0.71) GSTP1LTA4HTSHRMCL1NPC1
Biphenyl SCHEMBL10838288 0.76 LTA4H (0.71) GSTP1LTA4HTSHRMCL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216285-A1 FLUORESCENT MALEIMIDES AND USES THEREOF Ciba SC Holding AG (CH) 2002-06-26 EP disclosed
WO-2001019939-A1 FLUORESCENT MALEIMIDES AND USES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-03-22 WO disclosed
US-4957933-A Fungicidal oxazolidinones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-18 US disclosed