SCHEMBL20245180

SCHEMBL20245180

CNC(C(=O)NCCOCCOCC(=O)NC(CO)C(N)=O)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SYK P43405 1/20 0.40
▸ GLP1R P43220 8/20 0.34
▸ TLR2 O60603 3/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ IL23R Q5VWK5 3/20 0.31
▸ CPA1 P15085 1/20 0.31
▸ CPA2 P48052 1/20 0.31
▸ CPA4 Q9UI42 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
SCHEMBL20245009 0.89 MEN1 (0.38) MEN1KMT2ASYKGLP1RTLR2
SCHEMBL20245162 0.87 SYK (0.39) MEN1KMT2ASYKGLP1RTLR2
SCHEMBL20244998 0.87 SYK (0.39) MEN1KMT2ASYKGLP1RTLR2
SCHEMBL20244935 0.87 MEN1 (0.41) MEN1KMT2ASYKGLP1RTLR2
SCHEMBL20244993 0.86 MEN1 (0.43) MEN1KMT2ASYKGLP1RTLR2
SCHEMBL20245033 0.86 MEN1 (0.47) MEN1KMT2ASYKGLP1R
SCHEMBL20244927 0.86 MEN1 (0.47) MEN1KMT2ASYKGLP1R
SCHEMBL18735832 0.85 PDCD1LG2 (0.43) MEN1KMT2ASYKGLP1RTLR2
SCHEMBL18735833 0.85 PDCD1LG2 (0.43) MEN1KMT2ASYKGLP1RTLR2
SCHEMBL18735831 0.85 PDCD1LG2 (0.43) MEN1KMT2ASYKGLP1RTLR2

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-3041468-B1 CYCLIC PEPTIDOMIMETIC COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2018-06-13 — — EP disclosed
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