SCHEMBL11728307

SCHEMBL11728307

CC(C)N(CCCC(O)c1ccc2c(c1)Cc1cc(C(O)CCCN(C(C)C)C(C)C)ccc1S2)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ NOX1 Q9Y5S8 1/20 0.31
▸ CHRM2 P08172 3/20 0.30
▸ MAPT P10636 3/20 0.30
▸ CHRM3 P20309 3/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ LMNA P02545 2/20 0.30
▸ CHRM4 P08173 2/20 0.30
▸ CHRM5 P08912 2/20 0.30
▸ CHRM1 P11229 2/20 0.30
▸ HTR2A P28223 2/20 0.30
▸ SLC6A4 P31645 2/20 0.30
▸ ADRA1A P35348 2/20 0.30
▸ HRH1 P35367 2/20 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
SCHEMBL11733623 0.86 HTR2A (0.38) OPRK1PTGS2PDE4DCHRM2MAPT
SCHEMBL11741681 0.84 CHRM2 (0.39) OPRK1PTGS2PDE4DBCHECHRM2
SCHEMBL11732050 0.82 PTGS2 (0.37) OPRK1PTGS2PDE4DNOX1CHRM2
SCHEMBL11734266 0.81 PTGS1 (0.37) OPRK1CHRM2MAPTCHRM3MEN1
Hydrochloric Acid SCHEMBL11728247 0.78 PTGS2 (0.35) OPRK1PTGS2PDE4DBCHEACHE
SCHEMBL11731119 0.78 KMT2A (0.35) OPRK1PTGS2PDE4DMAPTMEN1
SCHEMBL11836706 0.75 AOC3 (0.35) CHRM2CHRM3HTR2ASLC6A4KCNH2
SCHEMBL11815319 0.73 OPRK1 (0.35) OPRK1PTGS2PDE4DCHRM2MAPT
SCHEMBL11733495 0.72 HRH3 (0.41) MEN1KMT2AL3MBTL1ESR1SCN5A
SCHEMBL11734222 0.71 ESR1 (0.41) MEN1KMT2ASLC6A4ESR1

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-4008240-A VIRICIDE RICHARDSON-MERRELL INC. (US) 1977-02-15 — — US disclosed
Send feedback