SCHEMBL6441845

SCHEMBL6441845

CCCCCCCCCCCCCCCCC(COc1ccccc1O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
JAK2 O60674 1/20 0.40
GAA P10253 1/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HTR1A P08908 1/20 0.38
PPARG P37231 2/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6346051 1.00 LMNA (0.40) LMNAMAPTJAK2GAACNR1
SCHEMBL9437435 0.82 PRSS1 (0.47) LMNAMAPTJAK2GAAHTR1A
SCHEMBL18038533 0.81 HTR1A (0.49) LMNAMAPTJAK2GAAHTR1A
SCHEMBL9488200 0.80 LMNA (0.42) LMNAMAPTJAK2GAAHTR1A
SCHEMBL808463 0.77 NR5A1 (0.57) LMNAMAPTGAACHRM2CYP3A4
SCHEMBL5634322 0.77 NR5A1 (0.57) LMNAMAPTGAACHRM2CYP3A4
SCHEMBL4859448 0.76 JAK2 (0.38) LMNAMAPTJAK2GAAHTR1A
SCHEMBL688632 0.75 BID (0.42) MAPTPPARG
SCHEMBL1834963 0.75 LMNA (0.64) LMNAMAPTJAK2GAACNR1
SCHEMBL270163 0.75 LMNA (0.64) LMNAMAPTJAK2GAACNR1

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
US-6846861-B2 Pleasantly fragrant process for stabilizing halogen-containing polymers ROHM AND HAAS COMPANY (US) 2005-01-25 US disclosed
US-20020035179-A1 Plasantly fragrant process for stabilizing halogen-containing polymers MORTON INTERNATIONAL, INC. 2002-03-21 US disclosed