SCHEMBL9796151

SCHEMBL9796151

CCCNC(=O)c1ccc(C2[C@]3(O)C(O)C(c4ccc(C(N)=O)cc4)[C@]3(O)[C@]2(O)[C@H](O)CO)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 6/20 0.37
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
PDK2 Q15119 1/20 0.33
MAPK14 Q16539 1/20 0.32
BACE1 P56817 1/20 0.32
GALR1 P47211 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
ROCK2 O75116 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
SCHEMBL9791883 1.00 KDM4E (0.37) KDM4EKMT2ANAMPTHPGDLMNA
SCHEMBL9791860 0.95 KDM4E (0.38) KDM4EKMT2ANAMPTHPGDLMNA
SCHEMBL9791862 0.91 KDM4E (0.35) KDM4EKMT2ANAMPTHPGDLMNA
SCHEMBL9791995 0.91 KDM4E (0.35) KDM4EKMT2ANAMPTHPGDLMNA
SCHEMBL9792001 0.90 NPC1 (0.42) NAMPTHPGDALDH1A1
SCHEMBL9792085 0.88 PLK1 (0.32) HPGD
SCHEMBL9791906 0.88 PLK1 (0.32) HPGD
SCHEMBL9841193 0.87 L3MBTL1 (0.46) KMT2AALDH1A1
SCHEMBL8554956 0.87 MMP13 (0.38) KDM4EKMT2AHPGDALDH1A1
SCHEMBL9792091 0.87 OPRD1 (0.35) KMT2AHPGDLMNAPDK2MAPK14

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