SCHEMBL7558825

SCHEMBL7558825

CC(C)(C)C(Cc1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.67
ESR2 Q92731 15/20 0.67
TAAR1 Q96RJ0 3/20 0.48
SLC6A2 P23975 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL12086475 0.79 ESR1 (0.56) ESR1ESR2SLC6A2MEN1ALDH1A1
SCHEMBL784711 0.78 ESR1 (0.44) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL14838254 0.78 ESR1 (0.44) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL11960807 0.78 ESR1 (0.44) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL28930117 0.78 ESR1 (0.44) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL5424462 0.77 TAAR1 (0.54) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL28879526 0.76 ESR1 (0.50) ESR1ESR2SLC6A2MEN1ALDH1A1
SCHEMBL11943527 0.76 ESR1 (0.46) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL20132817 0.75 TAAR1 (0.57) ESR1ESR2TAAR1SLC6A2
SCHEMBL7145215 0.75 TAAR1 (0.52) ESR1ESR2TAAR1SLC6A2

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-1181330-A1 MIXTURES CONTAINING STABILISERS AND IMINOPHOSPHORANES BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000066661-A1 MIXTURES CONTAINING STABILISERS AND IMINOPHOSPHORANES BASF AKTIENGESELLSCHAFT (DE) 2000-11-09 WO disclosed