SCHEMBL7950808

SCHEMBL7950808

CCC([CH]c1ccccc1)CCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7746454 0.88 MAOA (0.44) SIGMAR1L3MBTL1MAOAMAOB
SCHEMBL8350621 0.86 SIGMAR1 (0.44) SIGMAR1MAOAMAOB
SCHEMBL11410075 0.82 TSHR (0.45) MEN1KMT2A
SCHEMBL27293430 0.78 LMNA (0.34) SIGMAR1L3MBTL1MEN1KMT2A
SCHEMBL2332472 0.78 LMNA (0.39) L3MBTL1MAOBMEN1KMT2A
SCHEMBL1828574 0.76 SMN1; SMN2 (0.52) SIGMAR1CHRM2HTR1AADRA2ACHRM1
SCHEMBL27901751 0.74 LMNA (0.40) MEN1KMT2A
SCHEMBL7436816 0.74 SIGMAR1 (0.42) SIGMAR1L3MBTL1
SCHEMBL18951596 0.73 SIGMAR1 (0.50) SIGMAR1L3MBTL1MAOAKCNH2
SCHEMBL8735193 0.73 SIGMAR1 (0.47) SIGMAR1L3MBTL1MAOACHRM2HTR1A

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
WO-2001077189-A1 METHOD FOR PRODUCING A SUPPORTED CATALYST FOR THE POLYMERIZATION OF OLEFINS BASF AKTIENGESELLSCHAFT (DE) 2001-10-18 WO disclosed