SCHEMBL22508202

SCHEMBL22508202

CCCC(C)(C)OCCC(C)(C)NC(=O)I

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL16592004 0.84 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10
SCHEMBL25511794 0.83 ALDH1A1 (0.49) ALDH1A1LMNAHSD17B10
SCHEMBL21541121 0.80 ALDH1A1 (0.39) ALDH1A1
SCHEMBL18437016 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL26034544 0.78 ALDH1A1 (0.51) ALDH1A1LMNA
SCHEMBL26716980 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL26757008 0.75 ALDH1A1 (0.41) ALDH1A1
SCHEMBL19367996 0.75 ALDH1A1 (0.41) ALDH1A1
SCHEMBL26696658 0.75 ALDH1A1 (0.40) ALDH1A1
SCHEMBL26049492 0.73 ALDH1A1 (0.33) ALDH1A1

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-2020205564-A1 CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES IMMUNOGEN, INC. (US) 2020-10-08 WO disclosed