SCHEMBL9792091

SCHEMBL9792091

CCNC(=O)c1ccc(C2C(O)[C@@]3(O)C(c4ccc(C(=O)NCC)cc4)[C@@](O)([C@H](O)CO)[C@@]23O)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.35
OPRM1 P35372 5/20 0.35
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
PDK2 Q15119 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK14 Q16539 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
PDE5A O76074 1/20 0.32
ACACB O00763 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL9791860 0.91 KDM4E (0.38) HPGDLMNAPDK2KMT2AMAPK14
SCHEMBL8554956 0.89 MMP13 (0.38) HPGDMEN1KMT2ACA12CA9
SCHEMBL9792026 0.89 HPGD (0.35) HPGD
SCHEMBL9841193 0.88 L3MBTL1 (0.46) MEN1MAPTKMT2A
SCHEMBL9791995 0.88 KDM4E (0.35) HPGDLMNAPDK2KMT2AMAPK14
SCHEMBL9791912 0.88 L3MBTL1 (0.40) LMNAMEN1KMT2AMAPK14NPSR1
SCHEMBL9791862 0.88 KDM4E (0.35) HPGDLMNAPDK2KMT2AMAPK14
SCHEMBL9792049 0.88 HPGD (0.39) OPRD1OPRM1HPGDLMNAPDK2
SCHEMBL9791992 0.88 ALDH1A1 (0.37) HPGDLMNAPDK2MAPTMAPK14
SCHEMBL9791883 0.87 KDM4E (0.37) HPGDLMNAPDK2KMT2AMAPK14

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
US-4996334-A Dibenzylidenesorbitols for gelatinizing oils and liquids, increasing transparency and rigidity in resins, improving viscosity of coatings and stabilizing emulsions MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-02-26 US disclosed