SCHEMBL6437542

SCHEMBL6437542

ON=C1CCCC(c2ccc(O)cc2OCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
HTR1A P08908 2/20 0.41
SLC6A4 P31645 2/20 0.41
ESR2 Q92731 1/20 0.40
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
SLC2A1 P11166 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
PTGS1 P23219 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6439899 0.86 SLC6A2 (0.47) ALOX5APFEN1SLC6A2SLC6A3HTR1A
SCHEMBL6434537 0.84 CA2 (0.42) SLC6A2SLC6A3MAOBLIPGMEN1
SCHEMBL6433213 0.81 ESR2 (0.46) ESR2MAOAMAOBMEN1ALDH1A1
SCHEMBL6434372 0.76 ESR2 (0.51) ESR2MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL6434367 0.76 ESR2 (0.51) ESR2MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL6434539 0.76 TYR (0.43) ESR2BCHEACHECYP2C19
SCHEMBL11165591 0.72 MAOB (0.45) ALOX5APFEN1SLC6A2SLC6A3HTR1A
SCHEMBL6435273 0.71 PTPN1 (0.36) ESR2KMT2A
SCHEMBL6435274 0.71 PTPN1 (0.36) ESR2KMT2A
SCHEMBL23036101 0.69 SLC6A2 (0.56) ALOX5APFEN1SLC6A2SLC6A3HTR1A

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
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP disclosed