SCHEMBL18735329

SCHEMBL18735329

CCOC(=O)C(CSC(=O)C(=O)CC(=O)OC(C)C)NC(=O)CC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ METAP2 P50579 4/20 0.32
▸ METAP1 P53582 4/20 0.32
▸ PPID Q08752 2/20 0.32
▸ CAD P27708 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31
▸ ACACB O00763 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
SCHEMBL18735335 0.89 L3MBTL1 (0.47) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18735337 0.87 CYP1A2 (0.36) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18735049 0.87 KMT2A (0.43) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18735365 0.85 CYP1A2 (0.35) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18734967 0.82 — —
SCHEMBL18735373 0.80 L3MBTL1 (0.34) L3MBTL1KMT2APOLBACACB
SCHEMBL18735352 0.80 KMT2A (0.38) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18735349 0.76 CYP1A2 (0.38) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18734968 0.76 L3MBTL1 (0.36) L3MBTL1KMT2APOLBCYP1A2CYP2C9
SCHEMBL18735361 0.75 CYP1A2 (0.40) L3MBTL1KMT2APOLBCYP1A2CYP2C9

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-2017060400-A1 PROTECTED CARBOXYLIC ACID-BASED METABOLITES FOR THE TREATMENT OF DISESASES RELATED TO MITOCHONDRIAL DYSFUNCTIONS NEUROVIVE PHARMACEUTICAL AB (SE) 2017-04-13 — — WO disclosed
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