SCHEMBL6441058

SCHEMBL6441058

CCCCC(C)SSSC(C)CCCC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.38
TSHR P16473 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.36
CA2 P00918 2/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 3/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.32
FDPS P14324 1/20 0.32
LMNA P02545 1/20 0.32
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL13974337 0.88 DNM1 (0.41) DNM1TSHRSMN1; SMN2OPRM1CA2
SCHEMBL12598879 0.83 DNM1 (0.38) DNM1TSHRSMN1; SMN2OPRM1CA2
SCHEMBL18078534 0.81 DNM1 (0.36) DNM1TSHRSMN1; SMN2OPRM1CA2
SCHEMBL16710730 0.81
SCHEMBL371378 0.80 OPRM1 (0.50) DNM1TSHROPRM1CA1FDPS
SCHEMBL16899677 0.79 DNM1 (0.35) DNM1TSHRSMN1; SMN2OPRM1ALDH1A1
SCHEMBL29250335 0.78 OPRM1 (0.48) DNM1TSHROPRM1CA1FDPS
SCHEMBL27565433 0.78 OPRM1 (0.48) DNM1TSHROPRM1CA1FDPS
SCHEMBL27513413 0.78 OPRM1 (0.48) DNM1TSHROPRM1CA1FDPS
SCHEMBL776356 0.77 DNM1 (0.41) DNM1TSHRSMN1; SMN2OPRM1CA2

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
WO-2005051617-A2 ANTIFUNGAL PRESERVATIVE COMPOSITION FOR AN ENVIRONMENTALLY FRIENDLY PROCESS MICROBES UNLIMITED, LLC (US) 2005-06-09 WO disclosed