SCHEMBL28679703

SCHEMBL28679703

O=C(NCC(=O)N1CCCCC1O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PREP P48147 3/20 0.44
▸ EPHX2 P34913 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ MDM4 O15151 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ CASP3 P42574 1/20 0.37

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
SCHEMBL29731400 0.97 OPRD1 (0.48) OPRD1KMT2APREPEPHX2DPP8
SCHEMBL24378516 0.97 OPRD1 (0.48) OPRD1KMT2APREPEPHX2DPP8
SCHEMBL28665306 0.87 OPRD1 (0.48) OPRD1KMT2APREPEPHX2DPP7
SCHEMBL30366864 0.87 OPRD1 (0.48) OPRD1KMT2APREPEPHX2DPP7
SCHEMBL29444020 0.84 OPRD1 (0.49) OPRD1KMT2APREPEPHX2F2
SCHEMBL21462327 0.84 OPRD1 (0.49) OPRD1KMT2APREPEPHX2F2
SCHEMBL31258873 0.84 OPRD1 (0.49) OPRD1KMT2APREPEPHX2F2
SCHEMBL28559438 0.82 F2 (0.46) OPRD1KMT2APREPEPHX2F2
SCHEMBL24378556 0.81 KMT2A (0.48) OPRD1KMT2APREPEPHX2DPP8
SCHEMBL30034009 0.81 OPRD1 (0.47) OPRD1KMT2APREPEPHX2F2

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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