SCHEMBL25254934

SCHEMBL25254934

CC(C)(C)OC(=O)CCOC[C@@H]1CCCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RIPK1 Q13546 1/20 0.32
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
ACE P12821 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL26725270 0.90 HSD17B10 (0.41) HSD17B10SMN1; SMN2ALOX5APFEN1ALDH1A1
SCHEMBL29039402 0.90 HSD17B10 (0.41) HSD17B10SMN1; SMN2ALOX5APFEN1ALDH1A1
SCHEMBL2566481 0.86 HSD17B10 (0.38) HSD17B10SMN1; SMN2ALOX5APFEN1USP2
SCHEMBL3832136 0.86 HSD17B10 (0.38) HSD17B10SMN1; SMN2ALOX5APFEN1USP2
SCHEMBL2567398 0.83 HSD17B10 (0.34) HSD17B10SMN1; SMN2USP2POLBNPC1
SCHEMBL20399892 0.82 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2ALOX5APFEN1LMNA
SCHEMBL21530355 0.82 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2ALOX5APFEN1LMNA
SCHEMBL21530356 0.82 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2ALOX5APFEN1LMNA
SCHEMBL20399344 0.82 HSD17B10 (0.44) HSD17B10SMN1; SMN2ALOX5APFEN1ALDH1A1
SCHEMBL20399345 0.82 HSD17B10 (0.44) HSD17B10SMN1; SMN2ALOX5APFEN1ALDH1A1

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
WO-2023168367-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS IMMUNESENSOR THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
EP-4208452-A1 QUINOLINE CGAS ANTAGONIST COMPOUNDS Immunesensor Therapeutics, Inc. (US) 2023-07-12 EP disclosed