SCHEMBL10960652

SCHEMBL10960652

CCC(C)(Cl)CC(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.37
CYP1A2 P05177 1/20 0.37
ACE2 Q9BYF1 1/20 0.34
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
ENPEP Q07075 2/20 0.32
BLM P54132 1/20 0.32
TP53 P04637 1/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 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
SCHEMBL1131815 0.79 CYP1A2 (0.46) GABRR1CYP1A2ACE2FOLH1NAALAD2
SCHEMBL2629341 0.77 GABRR1 (0.39) GABRR1CYP1A2ACE2FOLH1NAALAD2
SCHEMBL10047547 0.77 GABRR1 (0.39) GABRR1CYP1A2ACE2FOLH1NAALAD2
SCHEMBL11365504 0.77 GABRR1 (0.42) GABRR1CYP1A2ACE2FOLH1NAALAD2
SCHEMBL17198278 0.76 GABRR1 (0.38) GABRR1CYP1A2ACE2FOLH1NAALAD2
SCHEMBL28678547 0.74 GABRR1 (0.37) GABRR1CYP1A2ACE2FOLH1NAALAD2
SCHEMBL13540752 0.74 GABRR1 (0.41) GABRR1CYP1A2ACE2FOLH1NAALAD2
SCHEMBL19020100 0.74 GABRR1 (0.37) GABRR1CYP1A2ACE2FOLH1NAALAD2
SCHEMBL8259112 0.74 TSHR (0.39) GABRR1CYP1A2ACE2FOLH1NAALAD2
SCHEMBL16749901 0.74 GABRR1 (0.44) GABRR1CYP1A2ACE2FOLH1NAALAD2

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-4520209-A Process for cyclizing upsilon-chlorocarboxylic acids DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-05-28 US disclosed