SCHEMBL8479871

SCHEMBL8479871

COc1n[c]c(C)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
SQOR Q9Y6N5 3/20 0.40
CASP1 P29466 1/20 0.40
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 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
SCHEMBL8478355 0.84 PTGS2 (0.42) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL8474322 0.78 MAPT (0.37) MAPTSQORCASP1PDE4APDE4B
SCHEMBL8185529 0.77 PDE4B (0.42) MAPTSQORCASP1PDE4APDE4B
SCHEMBL8475027 0.77 BRD4 (0.42) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8477183 0.76 MAPT (0.36) MAPTSQORCASP1PDE4APDE4B
SCHEMBL8474956 0.76 KDM4E (0.40) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL9252162 0.75 SQOR (0.40) MAPTSQORCASP1PDE4APDE4B
SCHEMBL8480049 0.74 PDE4B (0.36) MAPTSQORCASP1PDE4APDE4B
SCHEMBL8478069 0.71 HEXA (0.44) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8480173 0.68 PTGS2 (0.44) MAPTNPC1RAB9ASMN1; SMN2KMT2A

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