SCHEMBL9791990

SCHEMBL9791990

CCCN(CCC)C(=O)c1ccc(C2C(O)[C@@]3(O)C(c4ccc(C(=O)N(CCC)CCC)cc4)[C@@](O)([C@H](O)CO)[C@@]23O)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.38
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
TRPV3 Q8NET8 1/20 0.34
HPGD P15428 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
NAMPT P43490 2/20 0.32
TP53 P04637 1/20 0.32
OPRD1 P41143 2/20 0.32
OPRM1 P35372 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LPAR1 Q92633 1/20 0.30
LPAR5 Q9H1C0 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
SCHEMBL8557298 0.91
SCHEMBL9791989 0.91 ALDH1A1 (0.36) MLYCDHPGDOPRD1OPRM1
SCHEMBL8556512 0.89 CNR2 (0.34) EGFRERBB2HPGD
SCHEMBL9791975 0.87 ALDH1A1 (0.35) HPGD
SCHEMBL8558152 0.83 NTRK2 (0.37) HPGD
SCHEMBL9791925 0.82 ALDH1A1 (0.32) HPGD
SCHEMBL9791976 0.82 SRD5A2 (0.31) TP53
SCHEMBL9792019 0.82 ALDH1A1 (0.42) HPGD
SCHEMBL8555860 0.81 NPC1 (0.37) HPGD
SCHEMBL9791860 0.81 KDM4E (0.38) HPGDNAMPT

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