SCHEMBL7700570

SCHEMBL7700570

Clc1[c]ccc(-c2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.44
LTA4H P09960 6/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NR1H2 P55055 1/20 0.38
BAX Q07812 1/20 0.38
MAOA P21397 1/20 0.38
ERN1 O75460 1/20 0.38
MCL1 Q07820 2/20 0.37
SCN4A P35499 1/20 0.37
BCL2L1 Q07817 1/20 0.36
NLRP3 Q96P20 1/20 0.36
TLR8 Q9NR97 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
SCHEMBL246786 0.83 CYP1A2 (0.42) MEN1KMT2AGAASMN1; SMN2MAOA
SCHEMBL4156310 0.82 LTA4H (0.48) GSTP1LTA4HTSHRNPC1RAB9A
SCHEMBL27486807 0.81 CYP1A2 (0.41) MEN1KMT2AGAASMN1; SMN2MAOA
SCHEMBL7700101 0.81 GSTP1 (0.46) GSTP1LTA4HTSHRNPC1RAB9A
SCHEMBL7703852 0.80 GSTP1 (0.48) GSTP1LTA4HTSHRNPC1RAB9A
SCHEMBL7703865 0.79 GSTP1 (0.44) GSTP1LTA4HTSHRNPC1RAB9A
SCHEMBL7700046 0.79 GSTP1 (0.44) GSTP1LTA4HTSHRNPC1RAB9A
SCHEMBL5584076 0.77 AHR (0.35)
SCHEMBL27408873 0.76 LTA4H (0.41) GSTP1LTA4HTSHRNPC1RAB9A
SCHEMBL435265 0.75 ALOX5 (0.45) TSHRGAAMCL1

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
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