SCHEMBL4082320

SCHEMBL4082320

Cc1cccc(C)c1OC(Oc1c(C)cccc1C)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 7/20 0.42
CYP2D6 P10635 3/20 0.42
LMNA P02545 2/20 0.42
SCN1A P35498 2/20 0.42
SCN5A Q14524 2/20 0.42
SCN9A Q15858 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
NFKB1 P19838 2/20 0.42
CYP2C9 P11712 1/20 0.42
KCNK3 O14649 1/20 0.42
CACNA1F O60840 1/20 0.42
KCNK2 O95069 1/20 0.42
GBA1 P04062 1/20 0.42
MAOA P21397 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
SCN7A Q01118 1/20 0.42

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
SCHEMBL515979 0.82 SCN4A (0.45) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL16991809 0.77 CYP1A2 (0.46) CYP2D6LMNATSHRCYP1A2CYP3A4
SCHEMBL104735 0.77 SCN4A (0.48) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL3399253 0.76 SCN4A (0.46) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL11596633 0.75 TSHR (0.39) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL11580891 0.74 SCN4A (0.45) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL23880668 0.73 SCN4A (0.45) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL9201474 0.73 SCN4A (0.55) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL23804880 0.73 SCN4A (0.45) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL11745605 0.73 SCN4A (0.45) SCN4ACYP2D6LMNASCN1ASCN5A

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-2084321-A1 METHOD FOR THE TREATMENT OF SUBSTRATES BASF SE (DE) 2009-08-05 EP disclosed
WO-2008049838-A1 METHOD FOR THE TREATMENT OF SUBSTRATES BASF SE (DE) 2008-05-02 WO disclosed