SCHEMBL28665306

SCHEMBL28665306

O=C(NCC(=O)N1CCCCC1C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ PREP P48147 2/20 0.45
▸ F2 P00734 1/20 0.45
▸ ACE P12821 3/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ FKBP1A P62942 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ACE2 Q9BYF1 2/20 0.40
▸ FABP7 O15540 1/20 0.40
▸ FABP5 Q01469 1/20 0.40

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
SCHEMBL30366864 1.00 OPRD1 (0.48) OPRD1KMT2APREPF2ACE
SCHEMBL29444020 0.97 OPRD1 (0.49) OPRD1KMT2APREPF2ACE
SCHEMBL21462327 0.97 OPRD1 (0.49) OPRD1KMT2APREPF2ACE
SCHEMBL31258873 0.97 OPRD1 (0.49) OPRD1KMT2APREPF2ACE
SCHEMBL30034009 0.94 OPRD1 (0.47) OPRD1KMT2APREPF2ACE
SCHEMBL28679703 0.87 OPRD1 (0.47) OPRD1KMT2APREPF2DPP7
SCHEMBL28559438 0.87 F2 (0.46) OPRD1KMT2APREPF2ACE
SCHEMBL29565875 0.87 KMT2A (0.54) OPRD1KMT2AF2ACEALDH1A1
SCHEMBL4575275 0.84 ALDH1A1 (0.53) KMT2APREPF2FKBP1AALDH1A1
SCHEMBL119867 0.84 ALDH1A1 (0.53) KMT2APREPF2FKBP1AALDH1A1

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
CN-113905767-A Traceless linkers and protein conjugates thereof 里珍纳龙药品有限公司 2022-01-07 — — CN disclosed
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