SCHEMBL7704874

SCHEMBL7704874

Cc1[c]c(C)cc(-c2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.48
LTA4H P09960 6/20 0.47
TSHR P16473 1/20 0.46
ERN1 O75460 1/20 0.43
MCL1 Q07820 5/20 0.43
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MAOA P21397 1/20 0.42
ACACB O00763 2/20 0.41
ACACA Q13085 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
SCN4A P35499 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5583858 0.84 LTA4H (0.55) GSTP1LTA4HTSHRNR1H2BAX
SCHEMBL698135 0.81 ALDH1A1 (0.47) TSHRMAOAHTTSMN1; SMN2NPC1
SCHEMBL7700046 0.80 GSTP1 (0.44) GSTP1LTA4HTSHRERN1MCL1
SCHEMBL6406035 0.78 LTA4H (0.75) GSTP1LTA4HTSHRNR1H2BAX
SCHEMBL2860844 0.78 LTA4H (0.75) GSTP1LTA4HTSHRNR1H2BAX
SCHEMBL197414 0.78 LTA4H (0.75) GSTP1LTA4HTSHRNR1H2BAX
SCHEMBL697263 0.78 ABL1 (0.57) SMN1; SMN2NPC1RAB9A
SCHEMBL24322042 0.77 HTT (0.62) GSTP1LTA4HTSHRNR1H2BAX
SCHEMBL822790 0.77 HTT (0.62) GSTP1LTA4HTSHRNR1H2BAX
SCHEMBL20419433 0.77 HTT (0.62) GSTP1LTA4HTSHRNR1H2BAX

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