SCHEMBL9764078

SCHEMBL9764078

CCCCC(C)[C](C)CCC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
FDPS P14324 3/20 0.41
ALDH1A1 P00352 1/20 0.37
DNM1 Q05193 2/20 0.36
OPRM1 P35372 1/20 0.35
CA2 P00918 3/20 0.34
MAPK1 P28482 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
FFAR1 O14842 1/20 0.34
NFKB1 P19838 1/20 0.33

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
SCHEMBL17182195 0.92 CA1 (0.52) CA1FDPSOPRM1FFAR4ACE2
SCHEMBL6051327 0.90 CA1 (0.50) CA1FDPSOPRM1FFAR4ACE2
SCHEMBL7116034 0.90 CA1 (0.43) CA1FDPSALDH1A1DNM1OPRM1
SCHEMBL770089 0.86 TSHR (0.38) CA1FDPSOPRM1FFAR4ACE2
SCHEMBL8949780 0.82 CA1 (0.52) CA1FDPSOPRM1FFAR4ACE2
SCHEMBL4642212 0.81 CA1 (0.44) CA1FDPSALDH1A1DNM1OPRM1
SCHEMBL9692947 0.80 CA1 (0.50) CA1FDPSOPRM1MAPK1FFAR4
SCHEMBL11202132 0.80 CA1 (0.50) CA1FDPSOPRM1MAPK1FFAR4
SCHEMBL7278088 0.80 CA1 (0.50) CA1FDPSOPRM1MAPK1FFAR4
SCHEMBL11492630 0.80 CA1 (0.50) CA1FDPSOPRM1MAPK1FFAR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5066696-A Tertiary-Alkyl-Substituted Melamines ROHM AND HAAS COMPANY (US) 1991-11-19 US disclosed
EP-0442680-A1 Polymers stabilized against light and heat degradation ROHM AND HAAS COMPANY (US) 1991-08-21 EP disclosed