SCHEMBL7445248

SCHEMBL7445248

CCCCS(=O)(=O)c1ccc2c(c1)OC(C(O)CNC1CCN(C(C(N)=O)c3c(C)cccc3C)CC1)CO2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CHRM2 P08172 4/20 0.32
CCR5 P51681 1/20 0.32
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
CHRM5 P08912 2/20 0.30
POLB P06746 2/20 0.30
ADRB3 P13945 1/20 0.30
USP9X Q93008 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL10995344 0.87 CHRM2 (0.33) LMNACHRM2CCR5HTR6ALDH1A1
SCHEMBL7439952 0.86 CA2 (0.38) LMNAALDH1A1POLBGAA
SCHEMBL7437169 0.86 LMNA (0.31) LMNA
SCHEMBL7438346 0.85
SCHEMBL7429561 0.84 CA2 (0.37) ALDH1A1
SCHEMBL7436658 0.84 LMNA (0.39) LMNAALDH1A1POLBKDM4EGAA
SCHEMBL7434579 0.83 CA2 (0.35) LMNAALDH1A1GAA
Hydrochloric Acid SCHEMBL7444380 0.83 LMNA (0.39) LMNAALDH1A1POLBKDM4E
SCHEMBL7445252 0.83 ALDH1A1 (0.41) LMNAALDH1A1
SCHEMBL7434853 0.83 MTNR1A (0.40) LMNAALDH1A1HPGDGAA

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed