SCHEMBL24011968

SCHEMBL24011968

CCCC(=O)Oc1c(OC)cc(C(=O)OCCCN(C)C)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.60
SCN2A Q99250 2/20 0.60
SCN3A Q9NY46 2/20 0.60
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
THPO P40225 2/20 0.54
MTOR P42345 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PMP22 Q01453 1/20 0.53
ABCB1 P08183 3/20 0.47
ABCC1 P33527 3/20 0.47
ABCG2 Q9UNQ0 3/20 0.47
SLC29A1 Q99808 3/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
ABCC4 O15439 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL26158914 0.88 CYP3A4 (0.58) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL24011967 0.88 SCN1A (0.63) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL23903242 0.85 CYP3A4 (0.54) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL23903243 0.85 CYP3A4 (0.54) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL26158572 0.85 CYP3A4 (0.54) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL24016822 0.85 SCN1A (0.59) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL2459622 0.85 SCN1A (0.82) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL23903252 0.82 CYP3A4 (0.48) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL23883393 0.82 CYP3A4 (0.48) SCN1ASCN2ASCN3ACYP3A4CYP2D6
SCHEMBL23903261 0.82 CYP3A4 (0.48) SCN1ASCN2ASCN3ACYP3A4CYP2D6

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
WO-2021226463-A1 COMPOSITION AND METHODS FOR TREATMENT OF PRIMARY CILIARY DYSKINESIA TRANSLATE BIO, INC. (US) 2021-11-11 WO disclosed