SCHEMBL22705441

SCHEMBL22705441

Cc1conc1[C@@H]1CCCN1C(O)C(C)(C)Oc1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL22705461 0.79 LMNA (0.38) LMNAHSD17B10ALDH1A1
SCHEMBL22705511 0.78 LMNA (0.47) LMNAHSD17B10ALDH1A1
SCHEMBL22705486 0.76 LMNA (0.35) LMNAHSD17B10ALDH1A1
SCHEMBL22705468 0.76 LMNA (0.40) LMNAALDH1A1
SCHEMBL22705470 0.75 LMNA (0.33) LMNAHSD17B10ALDH1A1
SCHEMBL22705487 0.73 RIPK1 (0.47)
SCHEMBL22705449 0.66 ENPP2 (0.38)
SCHEMBL24597803 0.65 ALDH1A1 (0.43) ALDH1A1
SCHEMBL24597797 0.64 L3MBTL1 (0.38) ALDH1A1
SCHEMBL22705448 0.62 HDAC6 (0.36) LMNA

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
WO-2020233618-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海有机化学研究所 (CN) 2020-11-26 WO disclosed