SCHEMBL5168243

SCHEMBL5168243

Cc1ccc(Oc2ccccc2O)c(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TRPA1 O75762 1/20 0.49
CHRM1 P11229 1/20 0.49
SLC6A2 P23975 1/20 0.49
ADRA1A P35348 1/20 0.49
HTR2B P41595 1/20 0.49
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
IDO1 P14902 2/20 0.38
LPAR1 Q92633 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDO2 P48775 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
SCHEMBL11010571 0.84 LMNA (0.48) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL7546534 0.83 CA1 (0.48) LMNATRPA1CA1CA2TP53
SCHEMBL984086 0.83 GABRA1 (0.59) LMNASLC6A2HTR2BGABRA1GABRB2
SCHEMBL465786 0.75 HTR2A (0.47) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL7545091 0.75 TRPA1 (0.48) TRPA1GABRA1GABRB2CA1CA2
SCHEMBL6186016 0.74 ALDH1A1 (0.48) LMNACA1CA2TP53TSHR
SCHEMBL6436713 0.73 SLC6A4 (0.45) LMNASLC6A2TSHRHTR2ASLC6A4
SCHEMBL6284868 0.73 LMNA (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL24998819 0.73 LPAR1 (0.37) LMNASLC6A2MEN1KMT2ATSHR
SCHEMBL981248 0.73 TSHR (0.54) LMNATRPA1MEN1KMT2ACA1

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-1773125-A1 5-IODOTETRAZOLES Lanxess Deutschland GmbH (DE) 2007-04-18 EP disclosed
WO-2006012996-A1 5-IODOTETRAZOLES LANXESS DEUTSCHLAND GMBH (DE) 2006-02-09 WO disclosed