SCHEMBL7020412

SCHEMBL7020412

Cc1cc(O)c(C)c(C(C)c2cc(C)cc(O)c2C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
SELE P16581 1/20 0.46
TRPA1 O75762 3/20 0.45
LMNA P02545 3/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
APEX1 P27695 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MPI P34949 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL18357201 0.86 ACHE (0.59) ACHESELLSELPSELETRPA1
SCHEMBL15894579 0.81 SELL (0.59) ACHESELLSELPSELETRPA1
SCHEMBL69718 0.76 ACHE (1.00) ACHESELLSELPSELETRPA1
SCHEMBL14625525 0.74 ALDH1A1 (0.42) ACHESELLSELPSELETRPA1
SCHEMBL9499181 0.73 ACHE (0.48) ACHESELLSELPSELETRPA1
SCHEMBL51957 0.71 LMNA (0.75) ACHESELLSELPSELETRPA1
SCHEMBL50784 0.71 LMNA (0.56) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5612512 0.71 ALDH1A1 (0.48) ACHESELLSELPSELETRPA1
SCHEMBL29612051 0.71 ALDH1A1 (0.48) ACHESELLSELPSELETRPA1
SCHEMBL4623974 0.71 LMNA (0.56) ACHESELLSELPSELETRPA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003533337-A 2003-11-11 JP claimed
EP-1225978-A1 HYDROFORMYLATION OF UNSATURATED COMPOUNDS USING POLYMERIC PHOSPHITE LIGANDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-07-31 EP claimed
WO-2001021308-A1 HYDROFORMYLATION OF UNSATURATED COMPOUNDS USING POLYMERIC PHOSPHITE LIGANDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-03-29 WO claimed