SCHEMBL7704868

SCHEMBL7704868

Cc1[c]c(C)c(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.49
LTA4H P09960 9/20 0.42
TSHR P16473 1/20 0.41
MAOA P21397 2/20 0.38
NR1H2 P55055 1/20 0.38
BAX Q07812 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SCN4A P35499 1/20 0.37
MAOB P27338 1/20 0.37
PTGS2 P35354 1/20 0.36
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
TLR8 Q9NR97 1/20 0.36
BTK Q06187 1/20 0.35

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
SCHEMBL4371389 0.83 ESR2 (0.41) TSHRSMN1; SMN2PTGS2
SCHEMBL7704625 0.76 ALDH1A1 (0.37) MAOAMAOB
SCHEMBL7700044 0.76 GSTP1 (0.49) GSTP1LTA4HTSHRMAOANR1H2
SCHEMBL5795387 0.75 ACHE (0.36) HTTSMN1; SMN2NPC1RAB9AMAOB
SCHEMBL7699446 0.75 GSTP1 (0.50) GSTP1TSHRSMN1; SMN2
SCHEMBL7704874 0.73 GSTP1 (0.48) GSTP1LTA4HTSHRMAOANR1H2
SCHEMBL197414 0.70 LTA4H (0.75) GSTP1LTA4HTSHRMAOANR1H2
SCHEMBL6406035 0.70 LTA4H (0.75) GSTP1LTA4HTSHRMAOANR1H2
SCHEMBL2860844 0.70 LTA4H (0.75) GSTP1LTA4HTSHRMAOANR1H2
SCHEMBL16398888 0.69 GSTP1 (0.53) GSTP1LTA4HTSHRMAOANR1H2

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