SCHEMBL25426577

SCHEMBL25426577

CC(C)(C)OC(=O)COCCC1CC[C@@H](C(=O)O)N1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
FFAR2 O15552 1/20 0.31
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
LMNA P02545 1/20 0.30
CYP2C19 P33261 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
SCHEMBL25426575 1.00 HSD17B10 (0.34) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL25425430 0.90 TLR2 (0.31) HSD17B10FFAR2TLR2TLR1
SCHEMBL26999379 0.83 CHRM2 (0.38) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL3635836 0.78 HSD17B10 (0.38) HSD17B10SMN1; SMN2
SCHEMBL28108703 0.76 SMN1; SMN2 (0.33) SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL26999367 0.73 CHRM2 (0.36) HSD17B10CHRM2CHRM1CHRM3
SCHEMBL12797954 0.72 CHRM2 (0.39) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL20819892 0.72 FFAR2 (0.35) FFAR2
SCHEMBL22444297 0.72 FFAR2 (0.35) FFAR2
SCHEMBL22371723 0.72 FFAR2 (0.35) FFAR2

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
EP-4208452-A1 QUINOLINE CGAS ANTAGONIST COMPOUNDS Immunesensor Therapeutics, Inc. (US) 2023-07-12 EP disclosed