SCHEMBL7930725

SCHEMBL7930725

CCCCc1cc(-c2ccccc2)ccc1C1(CCCC)OC(=O)CC(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
CNR2 P34972 4/20 0.33
CNR1 P21554 3/20 0.33
TDP2 O95551 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC10A2 Q12908 1/20 0.31
MGLL Q99685 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL28375356 0.84 CTRC (0.34) MEN1KMT2ACYP2C19L3MBTL1
SCHEMBL28375340 0.71 CYP2D6 (0.33) MEN1KMT2ASIGMAR1
SCHEMBL27730914 0.66 PSMB5 (0.42) CNR2CNR1PPARAMEN1KMT2A
SCHEMBL22069113 0.66 HSD11B1 (0.45) CNR2CNR1MGLLHPGD
SCHEMBL1024737 0.65 CYP1A2 (0.55) MEN1KMT2AMGLLBACE1HPGD
SCHEMBL7876994 0.65 TLR8 (0.44) MEN1KMT2AMGLLHPGD
SCHEMBL17064150 0.65 MMP2 (0.44) MMP2MMP9MEN1POLBKMT2A
SCHEMBL30171122 0.64 CYP2D6 (0.42) MEN1POLBKMT2AMGLLSIGMAR1
SCHEMBL1617397 0.64 CYP2D6 (0.42) MEN1POLBKMT2AMGLLSIGMAR1
SCHEMBL8190312 0.64 HSD11B1 (0.40) CNR2CNR1MGLL

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-1135435-A1 SOLID, SHAPED AND COLORED WAX ARTICLES Clariant Finance (BVI) Limited (VG) 2001-09-26 EP disclosed
WO-2000022037-A1 SOLID, SHAPED AND COLORED WAX ARTICLES CLARIANT FINANCE (BVI) LIMITED (VG) 2000-04-20 WO disclosed