SCHEMBL7435716

SCHEMBL7435716

CCCCS(=O)(=O)c1ccc2c(c1)OCC(C(O)CNC1CCNCC1)O2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.33
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
RORC P51449 2/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ITGB3 P05106 4/20 0.31
ITGA2B P08514 4/20 0.31
ALDH1A1 P00352 2/20 0.31
SLC6A4 P31645 2/20 0.31
ITGAV P06756 1/20 0.31
CHRM2 P08172 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 2/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
SLC6A2 P23975 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
SCHEMBL7442226 0.87 FFAR1 (0.35) RORCHSD17B10ALDH1A1SLC6A4CHRM2
SCHEMBL7435145 0.84 KDM4E (0.35) CTSDBACE1KDM4ETSHRMAPK1
SCHEMBL10989168 0.82 THRB (0.36) PNMTITGB3ITGA2BCHRM2POLB
SCHEMBL7440201 0.81 ADRB2 (0.38) KDM4EITGB3ITGA2BSLC6A4ITGAV
SCHEMBL7435505 0.81 PNMT (0.36) PNMTKDM4ETSHRMAPK1HSD17B10
SCHEMBL7436499 0.80 GNAI3 (0.30) GNAI3GNAO1GNAI1
SCHEMBL7434523 0.80 GNAI3 (0.31) SLC6A4SLC6A2SLC6A3KCNH2GNAI3
SCHEMBL7433144 0.80 ADRB2 (0.35) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL7440923 0.78 THRA (0.37) KDM4EITGB3ITGA2BSLC6A4ITGAV
SCHEMBL7445248 0.78 LMNA (0.33) KDM4EALDH1A1CHRM2POLBGAA

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