SCHEMBL14218464

SCHEMBL14218464

CCCC(C)Oc1ccc(-c2cc(-c3ccc(C(=O)NC4CC(O)C(O)NC(=O)C5C(O)C(C)CN5C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)C(O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)C5CC(O)CN5C(=O)C(C(C)O)NC4=O)cc3)no2)cc1

nearest known ligand 0.91

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.91
PGR P06401 2/20 0.91
ADORA3 P0DMS8 2/20 0.91
CHRM1 P11229 2/20 0.91
SLC6A2 P23975 2/20 0.91
OPRM1 P35372 2/20 0.91
SLC6A3 Q01959 2/20 0.91
ABCG2 Q9UNQ0 2/20 0.91
TBXA2R P21731 1/20 0.91
PDE4A P27815 1/20 0.91
UBE2M P61081 1/20 0.91
NEDD8 Q15843 1/20 0.91
CYP2C8 P10632 1/20 0.59
CHRM2 P08172 1/20 0.38
DRD1 P21728 1/20 0.38
PTGS1 P23219 1/20 0.38
ADRA1A P35348 1/20 0.38

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
Micafungin SCHEMBL16550435 0.95 ESR1 (1.00) ESR1PGRADORA3CHRM1SLC6A2
Micafungin SCHEMBL13575751 0.95 ESR1 (1.00) ESR1PGRADORA3CHRM1SLC6A2
Micafungin SCHEMBL14071559 0.95 ESR1 (1.00) ESR1PGRADORA3CHRM1SLC6A2
Micafungin SCHEMBL19600986 0.95 ESR1 (1.00) ESR1PGRADORA3CHRM1SLC6A2
Micafungin SCHEMBL1652133 0.95 ESR1 (1.00) ESR1PGRADORA3CHRM1SLC6A2
Micafungin SCHEMBL23001458 0.95 ESR1 (1.00) ESR1PGRADORA3CHRM1SLC6A2
Micafungin SCHEMBL37671 0.95 ESR1 (1.00) ESR1PGRADORA3CHRM1SLC6A2
Micafungin SCHEMBL14403608 0.95 ESR1 (1.00) ESR1PGRADORA3CHRM1SLC6A2
Micafungin SCHEMBL14380016 0.95 ESR1 (1.00) ESR1PGRADORA3CHRM1SLC6A2
Micafungin SCHEMBL31615511 0.95 ESR1 (1.00) ESR1PGRADORA3CHRM1SLC6A2

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
US-7375081-B2 Therapeutic combination of a pneumocandin derivative and an antifungal agent ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed