SCHEMBL22728221

SCHEMBL22728221

CCCCc1ccnc2ccc(O)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.51
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
ALOX15 P16050 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
ALOX5 P09917 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRPV1 Q8NER1 3/20 0.45
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
ERAP1 Q9NZ08 1/20 0.43
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
ESRRB O95718 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
SCHEMBL4075615 0.83 ESR1 (0.54) MEN1KMT2ATRPV1MTNR1AMTNR1B
SCHEMBL827301 0.83 HTR1A (0.50) MAPTTP53HTTMTNR1AMTNR1B
SCHEMBL825930 0.79 MTNR1A (0.40) MTNR1AMTNR1BROCK2
SCHEMBL2237676 0.78 LOXL2 (0.56) CYP3A4ALDH1A1GAAKDM4EHPGD
SCHEMBL30665033 0.78 LOXL2 (0.56) CYP3A4ALDH1A1GAAKDM4EHPGD
SCHEMBL18664271 0.77 TRPV1 (0.37) TYRTRPV1MTNR1AMTNR1BESR1
SCHEMBL29032188 0.76 MTNR1A (0.71) CYP3A4MAPTTRPV1MTNR1AMTNR1B
SCHEMBL30448603 0.76 MTNR1A (0.71) CYP3A4MAPTTRPV1MTNR1AMTNR1B
SCHEMBL2364501 0.73 LOXL2 (0.55) CYP3A4MAPTALDH1A1GAAKDM4E
SCHEMBL14394991 0.73 CCR1 (0.55) CYP3A4HTTKDM4EHSD17B10

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-3349586-B1 ANTIFUNGAL COMPOUND PROCESS MYCOVIA PHARMACEUTICALS INC (US) 2020-12-02 EP disclosed