SCHEMBL9808442

SCHEMBL9808442

CC(CC1CCCCC1O)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
SHBG P04278 1/20 0.37
PTGS1 P23219 7/20 0.35
PTGS2 P35354 6/20 0.35
MT-CO1 P00395 1/20 0.35
MT-CO2 P00403 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL4839886 0.80 CA1 (0.52) CA1CA2CA4PTGS1PTGS2
SCHEMBL4847081 0.80 CA1 (0.52) CA1CA2CA4PTGS1PTGS2
SCHEMBL2019329 0.78 CA1 (0.54) CA1CA2CA4PTGS1PTGS2
SCHEMBL17834073 0.78 CA1 (0.54) CA1CA2CA4PTGS1PTGS2
SCHEMBL16202805 0.78 CA1 (0.54) CA1CA2CA4PTGS1PTGS2
SCHEMBL17834048 0.78 CA1 (0.54) CA1CA2CA4PTGS1PTGS2
SCHEMBL17834047 0.78 CA1 (0.54) CA1CA2CA4PTGS1PTGS2
SCHEMBL14706769 0.78 CA1 (0.54) CA1CA2CA4PTGS1PTGS2
SCHEMBL14706787 0.78 CA1 (0.54) CA1CA2CA4PTGS1PTGS2
SCHEMBL2140716 0.75 CYP1A2 (0.37) SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269568-B1 POLYMERISABLE COMPOSITIONS CIBA-GEIGY AG (CH) 1991-05-15 EP disclosed
US-4966923-A CONTAINING (METH)ALKYL SUBSTITUTED BICYCLO(2.2.1)HEP-5-ENE-2,3-DICARBOXYLIC ACID IMIDE AND ACRYLATED ESTER CIBA-GEIGY CORPORATION (US) 1990-10-30 US disclosed
EP-0269568-A2 Polymerisable compositions CIBA-GEIGY AG (CH) 1988-06-01 EP disclosed