SCHEMBL21765845

SCHEMBL21765845

CCC(=O)N(C)N(C)C(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
TDP1 Q9NUW8 2/20 0.41
FFAR3 O14843 1/20 0.41
SOAT1 P35610 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.33
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL4774587 0.87
SCHEMBL8847986 0.86 ALDH1A1 (0.42) ALDH1A1TDP1FFAR3PHF8KDM2A
SCHEMBL9640 0.79
SCHEMBL11413136 0.79 ALDH1A1 (0.41) ALDH1A1TDP1FFAR3SOAT1PHF8
SCHEMBL5264334 0.76
SCHEMBL9307317 0.76
Ammonia Solution, Strong SCHEMBL11668503 0.76
Hydrochloric Acid SCHEMBL5739091 0.76
Hydrochloric Acid SCHEMBL3021324 0.76
SCHEMBL23295107 0.76 FFAR3 (0.35) ALDH1A1FFAR3PHF8KDM2ALMNA

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-2023078273-A1 SPECIFIC CONJUGATION FOR AN ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 WO disclosed
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed