SCHEMBL20056990

SCHEMBL20056990

CC1CC(=O)N(CCC(=O)NCCC(C)(C)OCCC(C)(C)C(=O)ON2C(=O)CCC2=O)C1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 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
SCHEMBL20261261 0.89 POLB (0.33) HPGDHTTSMN1; SMN2POLBHSD17B10
SCHEMBL20261185 0.88 HPGD (0.32) HPGDHTTSMN1; SMN2
SCHEMBL20926869 0.87 HPGD (0.33) HPGDHTTSMN1; SMN2POLBHSD17B10
SCHEMBL18659982 0.85 HPGD (0.36) HPGDHTTSMN1; SMN2POLBHSD17B10
SCHEMBL24340751 0.83 SMN1; SMN2 (0.41) HPGDHTTSMN1; SMN2POLB
SCHEMBL10086140 0.82 HPGD (0.33) HPGDHTTSMN1; SMN2POLBHSD17B10
SCHEMBL20926880 0.81 HPGD (0.33) HPGDHTTSMN1; SMN2POLBHSD17B10
SCHEMBL21727787 0.81 HPGD (0.33) HPGDHTTSMN1; SMN2POLBHSD17B10
SCHEMBL21498528 0.80 — —
SCHEMBL10076956 0.79 HPGD (0.31) HPGDHTTSMN1; SMN2

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
EP-3308801-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCExplorer (Shanghai) Co., Ltd. (CN) 2018-04-18 — — EP disclosed
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