SCHEMBL22923595

SCHEMBL22923595

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.38
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 0.30
NAAA Q02083 1/20 0.30
PRSS1 P07477 1/20 0.30
CTSG P08311 1/20 0.30
CTRB1 P17538 1/20 0.30
CMA1 P23946 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
SCHEMBL22349877 0.88 CASP2 (0.37) CASP2ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL24340774 0.85 CNR1 (0.40) CASP2ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL13629818 0.85 CASP2 (0.47) CASP2ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL24340576 0.85 CASP2 (0.33) CASP2
SCHEMBL22923596 0.84 CASP2 (0.55) CASP2ALDH1A1SMN1; SMN2NAAA
SCHEMBL21538798 0.84 CASP2 (0.43) CASP2ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL20362595 0.82 CASP2 (0.47) CASP2ALDH1A1HPGDSMN1; SMN2NAAA
SCHEMBL22349883 0.80 GBA1 (0.33) CASP2
SCHEMBL23815863 0.79 DNM1 (0.37) CASP2TSHRNAAA
SCHEMBL22349882 0.79 CASP2 (0.31) CASP2

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-2022056273-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS Arrowhead Pharmaceuticals, Inc. (US) 2022-03-17 WO disclosed
WO-2021013693-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed