SCHEMBL30960337

SCHEMBL30960337

C=CC(C)OCCC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SLC1A1 P43005 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL31671147 0.81 CYP1A2 (0.40) TSHRLMNAALDH1A1KMT2AHSD17B10
SCHEMBL6651373 0.77 TSHR (0.55) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL14472065 0.76 ALOX15 (0.34) HSD17B10
SCHEMBL27861576 0.75 TSHR (0.39) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL13191103 0.74 ALDH1A1 (0.33) TSHRLMNAALDH1A1HSD17B10MGAM
SCHEMBL10535267 0.73
SCHEMBL11365507 0.73 MGAM (0.38) TSHRMGAMGAASIMGAM2
SCHEMBL19821796 0.72 TSHR (0.48) TSHRLMNAALDH1A1KMT2AMEN1
Cyclopropane SCHEMBL27365076 0.72 TSHR (0.48) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL26205587 0.72 TSHR (0.48) TSHRLMNAALDH1A1KMT2AMEN1

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
EP-4615849-A1 CYCLIC BENZIMIDAZOLE DERIVATIVES AS CGAS INHIBITORS Boehringer Ingelheim International GmbH (DE) 2025-09-17 EP disclosed
WO-2024099907-A1 CYCLIC BENZIMIDAZOLE DERIVATIVES AS CGAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-16 WO disclosed