SCHEMBL8476983

SCHEMBL8476983

CCCc1[c]cc(-c2ccc(C)cc2)c(OCc2ccccc2)c1-c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
MGAM O43451 3/20 0.40
SI P14410 3/20 0.40
MGAM2 Q2M2H8 3/20 0.40
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
MAOB P27338 1/20 0.35
GSTP1 P09211 1/20 0.35
FFAR4 Q5NUL3 3/20 0.34
FFAR1 O14842 2/20 0.34
IKBKE Q14164 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
AR P10275 1/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8476879 0.93 GAA (0.40) GAAMGAMSIMGAM2GSTP1
SCHEMBL8480525 0.91 MGAM (0.42) GAAMGAMSIMGAM2NPC1
SCHEMBL8475454 0.90 GAA (0.41) GAAMGAMSIMGAM2NPC1
SCHEMBL8474291 0.88 MGAM (0.43) GAAMGAMSIMGAM2HTT
SCHEMBL8480887 0.84 GAA (0.43) GAAMGAMSIMGAM2NPC1
SCHEMBL8474999 0.82 GAA (0.41) GAAMGAMSIMGAM2GSTP1
SCHEMBL8474261 0.82 MGAM (0.42) GAAMGAMSIMGAM2NPC1
SCHEMBL8475781 0.81 CYP4F2 (0.41) GAAMGAMSIMGAM2GSTP1
SCHEMBL8474577 0.79 MGAM (0.46) GAAMGAMSIMGAM2HTT
SCHEMBL8475330 0.79 MGAM (0.45) GAAMGAMSIMGAM2HTT

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
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed